#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cb1 n ALA -1 N 0.00 0.00 -1.68 -0.43 0.00 -1.26 -4.92 120.51 112.22 1cb1 n ALA -1 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1cb1 n ALA -1 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1cb1 n ALA -1 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1cb1 n GLN 0 N 0.00 2.53 -1.67 0.00 3.00 -1.26 -4.84 117.38 115.14 1cb1 n GLN 0 Ca 0.00 0.92 -0.49 0.00 -0.01 0.00 0.00 57.00 57.42 1cb1 n GLN 0 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 30.24 27.39 1cb1 n GLN 0 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1cb1 n LYS 1 N 5.99 1.92 -4.27 -1.09 4.76 -1.26 -4.97 118.16 119.24 1cb1 n LYS 1 Ca 0.20 0.70 -0.20 0.00 -2.87 0.00 0.00 58.31 56.14 1cb1 n LYS 1 Cb 0.34 -2.48 -0.13 0.00 -1.84 0.00 0.00 35.03 30.93 1cb1 n LYS 1 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1cb1 s SER 2 N 2.63 1.81 0.32 4.39 0.01 -1.26 -5.05 113.70 116.54 1cb1 s SER 2 Ca 0.88 -0.56 0.07 0.00 1.31 0.00 0.00 55.95 57.65 1cb1 s SER 2 Cb -0.77 -0.09 0.75 0.00 0.21 0.00 0.00 66.02 66.12 1cb1 s SER 2 CO 0.49 -0.01 1.80 1.55 0.41 0.00 0.00 173.24 177.48 1cb1 h PRO 3 N 4.53 0.74 -1.07 12.44 0.13 -2.01 -1.54 132.00 145.22 1cb1 h PRO 3 Ca -0.41 -0.04 0.29 0.00 -0.87 0.00 0.00 66.00 64.97 1cb1 h PRO 3 Cb 1.18 -0.17 -0.10 0.00 0.13 0.00 0.00 31.00 32.04 1cb1 h PRO 3 CO 0.42 0.49 0.68 0.00 -0.23 0.00 0.00 178.00 179.36 1cb1 h ALA 4 N 1.62 2.24 0.28 -0.56 0.00 -1.97 0.23 119.26 121.10 1cb1 h ALA 4 Ca 0.55 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.52 1cb1 h ALA 4 Cb 0.85 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1cb1 h ALA 4 CO -0.33 -0.69 -0.14 1.49 0.00 0.00 0.00 179.25 179.59 1cb1 h GLU 5 N 0.37 -0.37 -0.46 0.00 4.81 -1.70 0.84 114.58 118.08 1cb1 h GLU 5 Ca 0.63 0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.78 1cb1 h GLU 5 Cb 1.62 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 1cb1 h GLU 5 CO -0.34 -0.16 -0.14 -0.07 -0.73 0.00 0.00 179.01 177.57 1cb1 h LEU 6 N -0.50 0.86 -0.75 1.64 3.38 -1.30 -2.86 115.31 115.77 1cb1 h LEU 6 Ca -0.04 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.69 1cb1 h LEU 6 Cb 0.38 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1cb1 h LEU 6 CO 0.06 1.00 0.47 0.50 0.09 0.00 0.00 178.44 180.56 1cb1 h LYS 7 N 0.77 0.87 -0.16 1.13 3.64 -0.42 0.79 116.57 123.17 1cb1 h LYS 7 Ca 0.12 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1cb1 h LYS 7 Cb 0.66 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1cb1 h LYS 7 CO 0.05 0.57 -0.07 0.77 -2.27 0.00 0.00 179.45 178.50 1cb1 h SER 8 N 0.89 -0.25 -0.11 4.20 0.02 -0.59 0.19 113.55 117.91 1cb1 h SER 8 Ca 0.31 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.32 1cb1 h SER 8 Cb 0.07 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1cb1 h SER 8 CO -0.13 -0.10 0.06 0.40 -1.14 0.00 0.00 176.83 175.92 1cb1 h ILE 9 N -0.05 1.10 -0.40 3.27 2.04 -1.39 -0.13 117.51 121.95 1cb1 h ILE 9 Ca 0.09 -0.30 0.08 0.00 1.00 0.00 0.00 64.86 65.74 1cb1 h ILE 9 Cb 0.19 1.10 -0.09 0.00 -0.74 0.00 0.00 36.82 37.28 1cb1 h ILE 9 CO -0.20 0.09 -0.21 0.15 0.00 0.00 0.00 178.15 177.98 1cb1 h PHE 10 N 0.07 -0.54 -0.61 1.37 3.04 -0.50 -0.80 116.94 118.97 1cb1 h PHE 10 Ca 0.04 0.05 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1cb1 h PHE 10 Cb 0.10 0.30 -0.03 0.00 2.56 0.00 0.00 35.95 38.87 1cb1 h PHE 10 CO -0.04 -0.29 0.40 0.93 -2.02 0.00 0.00 178.31 177.29 1cb1 h GLU 11 N -0.14 0.78 -0.97 1.11 5.08 -0.36 0.12 114.58 120.21 1cb1 h GLU 11 Ca 0.19 -0.05 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1cb1 h GLU 11 Cb 0.44 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.42 1cb1 h GLU 11 CO -0.49 0.52 0.58 -0.22 -1.00 0.00 0.00 179.01 178.40 1cb1 h LYS 12 N 0.81 0.77 0.20 2.33 1.63 0.37 0.18 116.57 122.86 1cb1 h LYS 12 Ca 0.23 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 1cb1 h LYS 12 Cb -0.07 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 1cb1 h LYS 12 CO -0.06 0.51 -0.09 1.88 -3.45 0.00 0.00 179.45 178.24 1cb1 h TYR 13 N 0.80 -0.25 -0.90 1.91 -1.99 -0.56 -3.36 116.97 112.63 1cb1 h TYR 13 Ca 0.53 -0.01 0.21 0.00 2.00 0.00 0.00 58.73 61.46 1cb1 h TYR 13 Cb 0.72 0.08 -0.12 0.00 2.00 0.00 0.00 36.73 39.41 1cb1 h TYR 13 CO -0.02 -0.15 0.42 0.00 -0.00 0.00 0.00 178.16 178.40 1cb1 h ALA 14 N -1.17 1.44 -0.94 3.88 0.00 -0.59 -0.40 119.26 121.49 1cb1 h ALA 14 Ca -0.03 0.15 0.25 0.00 0.00 0.00 0.00 54.91 55.28 1cb1 h ALA 14 Cb 0.20 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1cb1 h ALA 14 CO 0.04 -0.30 0.65 0.00 0.00 0.00 0.00 179.25 179.65 1cb1 h ALA 15 N 1.69 2.64 -0.10 0.00 0.00 -0.79 0.26 119.26 122.96 1cb1 h ALA 15 Ca 0.55 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.48 1cb1 h ALA 15 Cb 1.02 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1cb1 h ALA 15 CO -0.50 -0.93 0.09 0.87 0.00 0.00 0.00 179.25 178.78 1cb1 h LYS 16 N 0.15 0.00 -0.00 0.00 1.79 -1.22 0.78 116.57 118.07 1cb1 h LYS 16 Ca 0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.94 1cb1 h LYS 16 Cb 1.60 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1cb1 h LYS 16 CO -0.08 0.00 -0.25 0.39 -1.08 0.00 0.00 179.45 178.43 1cb1 n GLU 17 N -4.14 0.47 0.00 3.15 1.02 0.08 -5.00 120.64 116.21 1cb1 n GLU 17 Ca -0.01 -0.22 0.00 0.00 -0.02 0.00 0.00 57.16 56.91 1cb1 n GLU 17 Cb 0.20 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 1cb1 n GLU 17 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1cb1 n GLY 18 N 1.38 2.24 3.63 0.62 0.00 0.27 -5.00 105.19 108.33 1cb1 n GLY 18 Ca 0.10 -0.67 -0.43 0.00 0.00 0.00 0.00 46.02 45.03 1cb1 n GLY 18 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1cb1 s ASP 19 N -4.00 6.43 -0.68 1.61 1.11 -1.26 -4.57 116.67 115.31 1cb1 s ASP 19 Ca 0.00 1.62 -0.07 0.00 0.18 0.00 0.00 52.55 54.28 1cb1 s ASP 19 Cb 0.00 -2.53 -0.17 0.00 1.07 0.00 0.00 42.92 41.29 1cb1 s ASP 19 CO 0.00 -1.22 3.10 -0.81 1.18 0.00 0.00 175.17 177.42 1cb1 n PRO 20 N 7.58 2.53 0.00 8.23 -0.04 -1.26 -3.98 135.00 148.07 1cb1 n PRO 20 Ca 0.18 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1cb1 n PRO 20 Cb 0.45 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.60 1cb1 n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1cb1 n ASN 21 N 3.07 0.39 -3.67 3.54 5.15 -1.26 -4.74 115.26 117.74 1cb1 n ASN 21 Ca 0.54 -0.81 -0.10 0.00 -0.60 0.00 0.00 54.58 53.61 1cb1 n ASN 21 Cb 0.55 0.14 -0.04 0.00 -0.53 0.00 0.00 39.78 39.90 1cb1 n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1cb1 s GLN 22 N -0.14 1.25 -0.09 1.20 -0.21 -1.26 -0.30 119.66 120.12 1cb1 s GLN 22 Ca 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1cb1 s GLN 22 Cb 0.00 0.51 -0.03 0.00 1.00 0.00 0.00 33.01 34.49 1cb1 s GLN 22 CO 0.00 -0.52 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.06 1cb1 s LEU 23 N -2.84 3.08 0.95 2.90 1.02 0.10 -4.12 118.68 119.77 1cb1 s LEU 23 Ca 0.06 -0.09 -0.13 0.00 0.02 0.00 0.00 54.13 53.98 1cb1 s LEU 23 Cb 0.00 -1.68 0.16 0.00 0.02 0.00 0.00 46.19 44.69 1cb1 s LEU 23 CO -0.07 0.31 1.16 -0.94 0.02 0.00 0.00 176.35 176.82 1cb1 s SER 24 N -0.48 3.19 0.29 2.29 1.04 -1.26 -0.38 113.70 118.39 1cb1 s SER 24 Ca 0.07 0.84 0.03 0.00 0.48 0.00 0.00 55.95 57.37 1cb1 s SER 24 Cb -0.12 -1.32 0.64 0.00 0.10 0.00 0.00 66.02 65.32 1cb1 s SER 24 CO 0.02 -2.74 1.80 0.50 0.98 0.00 0.00 173.24 173.80 1cb1 h LYS 25 N -1.63 0.82 0.17 4.02 3.64 -1.15 0.20 116.57 122.64 1cb1 h LYS 25 Ca -0.49 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.83 1cb1 h LYS 25 Cb 1.32 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1cb1 h LYS 25 CO 0.56 0.54 -0.08 0.93 -2.27 0.00 0.00 179.45 179.13 1cb1 h GLU 26 N 0.85 -0.23 -0.55 1.90 5.08 -1.92 -0.46 114.58 119.25 1cb1 h GLU 26 Ca 0.53 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.82 1cb1 h GLU 26 Cb 0.70 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1cb1 h GLU 26 CO -0.33 0.00 0.01 0.93 -1.00 0.00 0.00 179.01 178.62 1cb1 h GLU 27 N -0.42 0.95 0.06 2.33 3.07 -1.74 -1.95 114.58 116.87 1cb1 h GLU 27 Ca -0.02 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 58.56 1cb1 h GLU 27 Cb 0.33 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1cb1 h GLU 27 CO 0.04 0.93 -0.03 1.37 -1.40 0.00 0.00 179.01 179.92 1cb1 h LEU 28 N 0.87 -0.07 -0.53 1.33 8.10 -0.58 0.74 115.31 125.18 1cb1 h LEU 28 Ca 0.16 -0.09 0.11 0.00 0.11 0.00 0.00 57.88 58.17 1cb1 h LEU 28 Cb 0.50 0.02 -0.10 0.00 -0.44 0.00 0.00 40.66 40.64 1cb1 h LEU 28 CO 0.02 0.05 -0.11 0.50 -4.11 0.00 0.00 178.44 174.79 1cb1 h LYS 29 N -0.18 0.02 0.26 0.17 1.63 -0.91 0.14 116.57 117.70 1cb1 h LYS 29 Ca -0.01 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.78 1cb1 h LYS 29 Cb 0.15 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.78 1cb1 h LYS 29 CO 0.01 0.01 -0.13 1.96 -3.45 0.00 0.00 179.45 177.86 1cb1 h GLN 30 N 0.02 -0.34 -0.51 1.90 4.20 -1.07 -2.82 115.11 116.49 1cb1 h GLN 30 Ca 0.26 0.02 0.09 0.00 0.06 0.00 0.00 58.65 59.08 1cb1 h GLN 30 Cb 0.40 0.08 -0.10 0.00 0.30 0.00 0.00 27.48 28.15 1cb1 h GLN 30 CO -0.53 -0.19 -0.35 1.25 -0.67 0.00 0.00 178.83 178.34 1cb1 h LEU 31 N -0.40 -1.18 -0.12 1.46 7.12 0.31 0.38 115.31 122.88 1cb1 h LEU 31 Ca -0.04 0.22 0.03 0.00 0.13 0.00 0.00 57.88 58.22 1cb1 h LEU 31 Cb 0.31 0.57 -0.06 0.00 -0.53 0.00 0.00 40.66 40.94 1cb1 h LEU 31 CO 0.06 -0.32 -0.51 0.40 -0.13 0.00 0.00 178.44 177.94 1cb1 h ILE 32 N -0.21 0.00 -0.62 4.05 1.08 -0.73 0.10 117.51 121.18 1cb1 h ILE 32 Ca 0.20 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.71 1cb1 h ILE 32 Cb 0.55 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 1cb1 h ILE 32 CO -0.62 0.00 0.36 1.56 -0.69 0.00 0.00 178.15 178.75 1cb1 h GLN 33 N -0.55 0.67 0.69 2.37 4.20 -1.20 0.33 115.11 121.62 1cb1 h GLN 33 Ca 0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 1cb1 h GLN 33 Cb 0.64 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.27 1cb1 h GLN 33 CO -0.40 0.44 -0.33 0.00 -0.67 0.00 0.00 178.83 177.87 1cb1 h ALA 34 N 1.29 -0.93 0.17 3.87 0.00 -0.31 -3.28 119.26 120.08 1cb1 h ALA 34 Ca 0.26 -0.22 -0.31 0.00 0.00 0.00 0.00 54.91 54.64 1cb1 h ALA 34 Cb 0.09 0.36 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1cb1 h ALA 34 CO -0.14 -0.90 -1.51 0.93 0.00 0.00 0.00 179.25 177.63 1cb1 h GLU 35 N -1.18 0.37 -2.16 0.00 5.08 -0.82 -3.42 114.58 112.45 1cb1 h GLU 35 Ca -0.10 -0.63 -0.56 0.00 -1.00 0.00 0.00 59.36 57.08 1cb1 h GLU 35 Cb 0.74 0.23 -0.41 0.00 0.50 0.00 0.00 28.75 29.81 1cb1 h GLU 35 CO 0.16 1.30 -0.84 1.19 -1.00 0.00 0.00 179.01 179.82 1cb1 n PHE 36 N -3.77 2.40 -1.04 4.33 3.72 0.11 -4.99 117.46 118.23 1cb1 n PHE 36 Ca -0.22 -3.93 -0.34 0.00 -0.05 0.00 0.00 57.45 52.91 1cb1 n PHE 36 Cb 1.00 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 39.04 1cb1 n PHE 36 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1cb1 n PRO 37 N 0.29 2.05 0.00 -1.08 -0.04 -1.13 -2.45 135.00 132.64 1cb1 n PRO 37 Ca 0.28 -1.78 0.00 0.00 -0.04 0.00 0.00 63.50 61.96 1cb1 n PRO 37 Cb 0.48 -2.74 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1cb1 n PRO 37 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1cb1 n SER 38 N 5.64 0.00 -1.33 3.54 3.41 -1.26 -4.95 113.62 118.67 1cb1 n SER 38 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1cb1 n SER 38 Cb 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1cb1 n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cb1 n LEU 39 N -0.44 2.89 -3.19 1.04 4.77 -1.02 -4.23 117.00 116.82 1cb1 n LEU 39 Ca 0.00 -1.35 -0.36 0.00 -0.03 0.00 0.00 56.01 54.27 1cb1 n LEU 39 Cb 0.00 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1cb1 n LEU 39 CO 0.00 0.52 0.99 0.18 -1.33 0.00 0.00 177.39 177.75 1cb1 n LEU 40 N 1.16 6.37 -3.98 2.23 4.32 -1.26 -3.19 117.00 122.64 1cb1 n LEU 40 Ca 0.00 -5.34 -0.13 0.00 -0.02 0.00 0.00 56.01 50.53 1cb1 n LEU 40 Cb 0.35 -0.91 -0.02 0.00 -1.62 0.00 0.00 43.42 41.22 1cb1 n LEU 40 CO 0.00 2.09 0.29 -1.59 -1.22 0.00 0.00 177.39 176.96 1cb1 s LYS 41 N -3.98 2.05 0.90 3.23 -2.85 -1.26 -4.91 119.74 112.92 1cb1 s LYS 41 Ca 0.45 -1.65 0.00 0.00 -1.00 0.00 0.00 55.97 53.77 1cb1 s LYS 41 Cb 0.29 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.57 1cb1 s LYS 41 CO -0.20 -0.90 0.00 0.41 0.10 0.00 0.00 175.35 174.77 1cb1 n GLY 42 N -0.56 -2.12 3.71 0.59 0.00 -1.26 -4.51 105.19 101.04 1cb1 n GLY 42 Ca -0.03 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 1cb1 n GLY 42 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cb1 n PRO 43 N -0.08 2.41 0.00 1.61 -0.02 -1.26 -4.46 135.00 133.20 1cb1 n PRO 43 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.34 1cb1 n PRO 43 Cb 0.00 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 30.90 1cb1 n PRO 43 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1cb1 n ARG 44 N 2.13 0.00 0.00 -0.52 0.63 -1.26 -4.64 116.66 113.01 1cb1 n ARG 44 Ca 0.10 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.03 1cb1 n ARG 44 Cb 0.34 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.25 1cb1 n ARG 44 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 1cb1 n THR 45 N 0.00 0.00 -0.34 5.15 5.66 -1.26 -4.77 114.28 118.72 1cb1 n THR 45 Ca 0.00 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.13 1cb1 n THR 45 Cb 0.00 0.00 0.34 0.00 -1.55 0.00 0.00 70.33 69.12 1cb1 n THR 45 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 1cb1 h LEU 46 N 0.00 0.75 -1.22 1.09 8.10 -1.80 0.45 115.31 122.68 1cb1 h LEU 46 Ca 0.00 0.08 0.30 0.00 0.11 0.00 0.00 57.88 58.37 1cb1 h LEU 46 Cb 0.00 -0.05 -0.12 0.00 -0.44 0.00 0.00 40.66 40.05 1cb1 h LEU 46 CO 0.00 0.29 0.66 -0.78 -4.11 0.00 0.00 178.44 174.50 1cb1 h ASP 47 N 0.74 0.48 0.75 0.17 3.58 -1.94 1.00 116.42 121.20 1cb1 h ASP 47 Ca 0.56 0.12 -0.04 0.00 0.42 0.00 0.00 57.03 58.09 1cb1 h ASP 47 Cb 0.89 0.06 0.01 0.00 1.72 0.00 0.00 39.33 42.01 1cb1 h ASP 47 CO -0.34 0.00 -0.36 -0.78 -2.88 0.00 0.00 179.24 174.88 1cb1 h ASP 48 N 0.37 -0.85 -0.07 2.28 3.58 -0.36 -1.39 116.42 119.98 1cb1 h ASP 48 Ca 0.67 0.01 0.04 0.00 0.42 0.00 0.00 57.03 58.17 1cb1 h ASP 48 Cb 1.65 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 42.88 1cb1 h ASP 48 CO -0.42 -0.57 -0.18 -0.07 -2.88 0.00 0.00 179.24 175.13 1cb1 h LEU 49 N -1.07 -0.53 -0.90 2.28 3.38 -1.20 -0.62 115.31 116.65 1cb1 h LEU 49 Ca -0.10 0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.05 1cb1 h LEU 49 Cb 0.78 0.24 -0.12 0.00 0.09 0.00 0.00 40.66 41.65 1cb1 h LEU 49 CO 0.17 -0.23 -0.54 0.15 0.09 0.00 0.00 178.44 178.08 1cb1 h PHE 50 N -0.25 -1.69 -0.55 1.13 3.57 -0.76 0.25 116.94 118.64 1cb1 h PHE 50 Ca 0.08 0.12 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 1cb1 h PHE 50 Cb 0.36 0.86 -0.02 0.00 2.79 0.00 0.00 35.95 39.94 1cb1 h PHE 50 CO -0.26 -0.39 0.18 1.96 -2.23 0.00 0.00 178.31 177.57 1cb1 h GLN 51 N -0.06 0.84 -0.79 1.11 4.20 -0.56 0.14 115.11 119.98 1cb1 h GLN 51 Ca 0.18 -0.17 0.07 0.00 0.06 0.00 0.00 58.65 58.79 1cb1 h GLN 51 Cb 0.48 -0.13 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1cb1 h GLN 51 CO -0.89 0.76 0.52 0.93 -0.67 0.00 0.00 178.83 179.47 1cb1 h GLU 52 N 0.75 0.79 -0.02 1.46 5.08 0.42 -2.73 114.58 120.33 1cb1 h GLU 52 Ca 0.18 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1cb1 h GLU 52 Cb 0.26 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1cb1 h GLU 52 CO -0.01 0.52 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.37 1cb1 h LEU 53 N 0.82 0.12 -8.04 1.33 3.38 -0.07 -3.40 115.31 109.45 1cb1 h LEU 53 Ca 0.35 -0.65 -0.19 0.00 0.09 0.00 0.00 57.88 57.48 1cb1 h LEU 53 Cb 0.30 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1cb1 h LEU 53 CO -0.13 0.74 0.62 -0.62 0.09 0.00 0.00 178.44 179.15 1cb1 s ASP 54 N -6.01 4.33 0.58 -0.43 -1.08 0.44 -4.78 116.67 109.72 1cb1 s ASP 54 Ca -0.16 -1.32 0.28 0.00 -0.52 0.00 0.00 52.55 50.83 1cb1 s ASP 54 Cb 0.01 -2.59 1.57 0.00 -1.46 0.00 0.00 42.92 40.45 1cb1 s ASP 54 CO 0.71 -3.80 2.04 0.11 0.52 0.00 0.00 175.17 174.74 1cb1 h LYS 55 N 10.62 0.00 0.00 4.34 1.57 -1.79 0.71 116.57 132.02 1cb1 h LYS 55 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1cb1 h LYS 55 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 1cb1 h LYS 55 CO 1.13 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.30 1cb1 n ASN 56 N -3.86 0.74 -3.45 0.86 4.05 -1.26 -4.97 115.26 107.37 1cb1 n ASN 56 Ca 0.04 0.59 -0.21 0.00 0.45 0.00 0.00 54.58 55.45 1cb1 n ASN 56 Cb 0.44 -0.78 0.04 0.00 1.23 0.00 0.00 39.78 40.71 1cb1 n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1cb1 n GLY 57 N 1.10 -1.11 0.00 8.20 0.00 0.24 -4.94 105.19 108.68 1cb1 n GLY 57 Ca 0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1cb1 n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1cb1 n ASP 58 N -2.74 0.00 -2.68 1.61 2.03 -1.26 -5.07 116.55 108.45 1cb1 n ASP 58 Ca -0.08 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.17 1cb1 n ASP 58 Cb 0.59 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 41.05 1cb1 n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1cb1 n GLY 59 N 0.36 0.08 3.02 0.27 0.00 -1.26 -5.00 105.19 102.67 1cb1 n GLY 59 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1cb1 n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cb1 s GLU 60 N 0.11 0.54 -0.29 1.61 2.02 -1.26 -0.51 118.70 120.92 1cb1 s GLU 60 Ca 0.13 -0.47 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 1cb1 s GLU 60 Cb 0.22 -0.45 0.12 0.00 0.10 0.00 0.00 34.13 34.13 1cb1 s GLU 60 CO -0.06 0.11 0.23 0.08 0.02 0.00 0.00 175.26 175.64 1cb1 s VAL 61 N -0.67 -0.25 0.88 2.63 1.01 0.48 -3.57 120.40 120.91 1cb1 s VAL 61 Ca -0.02 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1cb1 s VAL 61 Cb -0.06 -0.98 0.12 0.00 0.00 0.00 0.00 36.38 35.47 1cb1 s VAL 61 CO 0.00 -0.59 1.11 -0.94 0.00 0.00 0.00 175.10 174.68 1cb1 s SER 62 N 2.20 3.70 0.12 3.32 1.04 -1.26 -0.72 113.70 122.10 1cb1 s SER 62 Ca 0.10 1.23 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 1cb1 s SER 62 Cb -0.15 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.03 1cb1 s SER 62 CO -0.33 -2.46 1.67 0.15 0.98 0.00 0.00 173.24 173.25 1cb1 h PHE 63 N -1.43 -0.39 -0.76 5.02 3.57 -1.04 0.18 116.94 122.09 1cb1 h PHE 63 Ca -0.50 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.16 1cb1 h PHE 63 Cb 1.30 0.18 -0.09 0.00 2.79 0.00 0.00 35.95 40.13 1cb1 h PHE 63 CO 0.38 -0.22 0.32 1.05 -2.23 0.00 0.00 178.31 177.61 1cb1 h GLU 64 N -0.21 0.46 -0.10 1.11 4.11 -1.94 -1.39 114.58 116.62 1cb1 h GLU 64 Ca 0.08 -0.03 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 1cb1 h GLU 64 Cb 0.32 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1cb1 h GLU 64 CO -0.21 0.30 -0.06 0.93 0.07 0.00 0.00 179.01 180.05 1cb1 h GLU 65 N 0.47 0.22 -1.09 1.06 5.08 -1.78 -3.21 114.58 115.33 1cb1 h GLU 65 Ca 0.42 -0.10 0.29 0.00 -1.00 0.00 0.00 59.36 58.98 1cb1 h GLU 65 Cb 0.62 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.77 1cb1 h GLU 65 CO -0.39 0.58 0.70 0.35 -1.00 0.00 0.00 179.01 179.25 1cb1 h PHE 66 N -0.15 0.59 -0.98 4.33 3.57 0.42 0.15 116.94 124.87 1cb1 h PHE 66 Ca 0.02 0.02 0.22 0.00 3.53 0.00 0.00 57.97 61.76 1cb1 h PHE 66 Cb 0.52 -0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.97 1cb1 h PHE 66 CO 0.07 0.02 0.57 1.96 -2.23 0.00 0.00 178.31 178.70 1cb1 h GLN 67 N 0.32 0.61 -0.28 1.11 4.20 -1.38 0.10 115.11 119.80 1cb1 h GLN 67 Ca 0.62 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.26 1cb1 h GLN 67 Cb 1.70 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.33 1cb1 h GLN 67 CO -0.29 0.40 0.04 0.28 -0.67 0.00 0.00 178.83 178.59 1cb1 h VAL 68 N 0.63 1.24 -0.39 -0.54 2.07 -0.88 -0.48 116.25 117.90 1cb1 h VAL 68 Ca 0.60 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 67.38 1cb1 h VAL 68 Cb 1.06 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 1cb1 h VAL 68 CO -0.44 0.26 0.03 0.25 0.02 0.00 0.00 177.57 177.69 1cb1 h LEU 69 N 0.28 -0.09 -0.08 2.57 5.85 -0.91 0.12 115.31 123.05 1cb1 h LEU 69 Ca 0.08 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1cb1 h LEU 69 Cb 0.35 0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1cb1 h LEU 69 CO 0.01 -0.01 -0.11 0.58 -0.34 0.00 0.00 178.44 178.57 1cb1 h VAL 70 N 0.14 0.71 -0.95 1.05 2.07 -0.78 -1.65 116.25 116.83 1cb1 h VAL 70 Ca 0.19 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.80 1cb1 h VAL 70 Cb 0.25 0.71 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1cb1 h VAL 70 CO -0.29 0.00 0.59 0.11 0.02 0.00 0.00 177.57 178.01 1cb1 h LYS 71 N -0.15 0.97 -0.91 1.57 1.79 -0.21 -1.85 116.57 117.79 1cb1 h LYS 71 Ca 0.07 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1cb1 h LYS 71 Cb 0.24 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1cb1 h LYS 71 CO -0.17 0.64 0.03 1.63 -1.08 0.00 0.00 179.45 180.51 1cb1 n LYS 72 N -4.61 1.88 -2.05 3.15 4.76 0.34 -4.77 118.16 116.85 1cb1 n LYS 72 Ca 0.16 -0.80 -0.28 0.00 -2.87 0.00 0.00 58.31 54.53 1cb1 n LYS 72 Cb 0.27 -1.63 -0.06 0.00 -1.84 0.00 0.00 35.03 31.78 1cb1 n LYS 72 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1cb1 s ILE 73 N -1.34 3.52 -0.19 -0.18 1.01 -0.70 -4.89 121.20 118.42 1cb1 s ILE 73 Ca 0.14 -0.84 -0.27 0.00 0.00 0.00 0.00 60.65 59.69 1cb1 s ILE 73 Cb 0.11 -4.49 -0.01 0.00 0.01 0.00 0.00 42.46 38.08 1cb1 s ILE 73 CO 0.04 -0.95 0.91 -0.44 0.00 0.00 0.00 174.94 174.49 1cb1 s SER 74 N 6.73 7.00 0.00 3.58 0.01 -1.26 -5.12 113.70 124.65 1cb1 s SER 74 Ca 0.69 1.25 0.13 0.00 1.31 0.00 0.00 55.95 59.32 1cb1 s SER 74 Cb -0.02 -2.49 0.10 0.00 0.21 0.00 0.00 66.02 63.83 1cb1 s SER 74 CO 0.12 -0.50 0.91 0.00 0.41 0.00 0.00 173.24 174.17