#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b1g s SER 2 N 0.00 4.38 0.20 4.39 1.04 -1.26 -4.75 113.70 117.70 1b1g s SER 2 Ca 0.00 1.31 -0.21 0.00 0.48 0.00 0.00 55.95 57.53 1b1g s SER 2 Cb 0.00 -2.04 0.15 0.00 0.10 0.00 0.00 66.02 64.23 1b1g s SER 2 CO 0.00 -2.04 1.56 -0.65 0.98 0.00 0.00 173.24 173.08 1b1g h PRO 3 N -1.14 -0.05 0.00 4.02 0.11 -2.04 0.51 132.00 133.42 1b1g h PRO 3 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1b1g h PRO 3 Cb 1.27 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1b1g h PRO 3 CO 0.59 -0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.28 1b1g h GLU 4 N -0.05 0.00 0.07 1.05 3.07 -1.98 0.22 114.58 116.95 1b1g h GLU 4 Ca 0.28 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.02 1b1g h GLU 4 Cb 0.56 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.47 1b1g h GLU 4 CO -0.91 0.00 -0.57 0.93 -1.40 0.00 0.00 179.01 177.06 1b1g h GLU 5 N 0.00 0.14 -0.11 2.33 4.39 -1.29 -3.21 114.58 116.84 1b1g h GLU 5 Ca 0.00 -0.24 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 1b1g h GLU 5 Cb 0.29 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 1b1g h GLU 5 CO 0.00 1.12 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.77 1b1g h LEU 6 N -0.68 0.15 -0.53 1.33 3.38 -0.83 -1.32 115.31 116.81 1b1g h LEU 6 Ca -0.12 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1b1g h LEU 6 Cb 1.36 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 1b1g h LEU 6 CO 0.05 0.30 0.13 0.50 0.09 0.00 0.00 178.44 179.51 1b1g h LYS 7 N 0.16 0.27 -0.05 1.13 3.64 -0.68 0.11 116.57 121.15 1b1g h LYS 7 Ca 0.03 -0.02 0.01 0.00 -1.27 0.00 0.00 60.65 59.40 1b1g h LYS 7 Cb 0.32 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1b1g h LYS 7 CO 0.02 0.18 0.01 0.78 -2.27 0.00 0.00 179.45 178.16 1b1g h GLY 8 N 0.27 0.05 0.38 5.01 0.00 -1.26 -0.32 103.07 107.21 1b1g h GLY 8 Ca 0.27 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.63 1b1g h GLY 8 CO -0.33 0.00 -0.29 -2.22 0.00 0.00 0.00 176.54 173.70 1b1g h ILE 9 N 0.03 0.36 -0.19 2.60 1.08 -0.98 0.76 117.51 121.17 1b1g h ILE 9 Ca 0.02 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.53 1b1g h ILE 9 Cb 0.02 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 34.06 1b1g h ILE 9 CO -0.03 0.00 -0.47 0.15 -0.69 0.00 0.00 178.15 177.11 1b1g h PHE 10 N -0.44 -1.39 -0.98 1.37 3.57 -0.60 -2.34 116.94 116.13 1b1g h PHE 10 Ca 0.06 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1b1g h PHE 10 Cb 0.52 0.63 -0.05 0.00 2.79 0.00 0.00 35.95 39.84 1b1g h PHE 10 CO -0.31 -0.50 0.65 1.49 -2.23 0.00 0.00 178.31 177.41 1b1g h GLU 11 N -0.50 1.29 -0.26 1.11 4.81 -0.64 0.16 114.58 120.55 1b1g h GLU 11 Ca 0.07 -0.08 0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1b1g h GLU 11 Cb 0.64 -0.29 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 1b1g h GLU 11 CO -0.45 0.85 -0.18 -0.22 -0.73 0.00 0.00 179.01 178.29 1b1g h LYS 12 N 1.33 -0.15 0.16 1.92 3.64 -0.35 -2.72 116.57 120.40 1b1g h LYS 12 Ca 0.36 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.48 1b1g h LYS 12 Cb -0.15 0.04 0.03 0.00 -0.41 0.00 0.00 32.23 31.73 1b1g h LYS 12 CO -0.08 -0.10 -1.18 1.88 -2.27 0.00 0.00 179.45 177.70 1b1g h TYR 13 N -0.16 0.88 -1.23 1.91 -1.99 -1.08 -3.32 116.97 111.98 1b1g h TYR 13 Ca 0.14 -0.59 0.36 0.00 2.00 0.00 0.00 58.73 60.64 1b1g h TYR 13 Cb 0.38 -0.05 -0.09 0.00 2.00 0.00 0.00 36.73 38.97 1b1g h TYR 13 CO -0.35 1.45 0.83 0.00 -0.00 0.00 0.00 178.16 180.08 1b1g h ALA 14 N 0.20 2.75 0.00 3.88 0.00 -0.52 -0.07 119.26 125.49 1b1g h ALA 14 Ca -0.19 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1b1g h ALA 14 Cb 1.89 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.77 1b1g h ALA 14 CO 0.22 -1.21 -0.36 0.00 0.00 0.00 0.00 179.25 177.91 1b1g h ALA 15 N 1.50 1.24 0.10 0.00 0.00 -1.52 -3.39 119.26 117.20 1b1g h ALA 15 Ca 0.67 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1b1g h ALA 15 Cb 2.18 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.88 1b1g h ALA 15 CO -0.22 0.45 -0.27 -0.22 0.00 0.00 0.00 179.25 178.99 1b1g h LYS 16 N 0.00 -0.46 -3.29 0.00 1.63 -1.20 -3.44 116.57 109.82 1b1g h LYS 16 Ca -0.00 0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.79 1b1g h LYS 16 Cb 0.71 0.10 -0.12 0.00 -0.60 0.00 0.00 32.23 32.33 1b1g h LYS 16 CO 0.05 -0.30 0.02 -1.83 -3.45 0.00 0.00 179.45 173.93 1b1g s GLU 17 N -6.05 1.24 3.58 1.90 -1.05 -1.26 -5.10 118.70 111.96 1b1g s GLU 17 Ca -0.16 -0.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.93 1b1g s GLU 17 Cb 0.08 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 1b1g s GLU 17 CO 0.65 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.76 1b1g n GLY 18 N -0.30 0.51 3.70 -3.83 0.00 -1.26 -4.60 105.19 99.41 1b1g n GLY 18 Ca -0.14 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.65 1b1g n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b1g n ASP 19 N -1.68 3.51 0.28 1.61 -0.08 -1.26 -4.89 116.55 114.04 1b1g n ASP 19 Ca 0.00 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.54 1b1g n ASP 19 Cb 0.00 -1.51 0.69 0.00 2.34 0.00 0.00 41.12 42.65 1b1g n ASP 19 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1b1g h PRO 20 N 5.92 0.00 0.01 -0.67 0.13 -1.85 -2.97 132.00 132.56 1b1g h PRO 20 Ca -0.44 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.36 1b1g h PRO 20 Cb 1.23 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.30 1b1g h PRO 20 CO 0.89 0.03 -2.00 -1.71 -0.23 0.00 0.00 178.00 174.98 1b1g n ASN 21 N -3.15 0.63 -4.91 1.44 5.15 -1.26 -3.47 115.26 109.68 1b1g n ASN 21 Ca 0.00 0.23 -0.28 0.00 -0.60 0.00 0.00 54.58 53.94 1b1g n ASN 21 Cb 0.30 0.30 -0.03 0.00 -0.53 0.00 0.00 39.78 39.82 1b1g n ASN 21 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1b1g s GLN 22 N -2.55 3.60 -0.45 1.20 -0.21 -1.12 -4.71 119.66 115.41 1b1g s GLN 22 Ca -0.08 -0.07 -0.24 0.00 0.02 0.00 0.00 55.36 54.98 1b1g s GLN 22 Cb 0.07 -2.66 0.02 0.00 1.00 0.00 0.00 33.01 31.45 1b1g s GLN 22 CO 0.82 0.21 0.85 -0.51 -2.12 0.00 0.00 175.29 174.53 1b1g s LEU 23 N -3.69 4.13 0.70 2.90 1.43 0.10 -4.54 118.68 119.73 1b1g s LEU 23 Ca 0.43 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1b1g s LEU 23 Cb -0.11 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.06 1b1g s LEU 23 CO 0.31 -0.96 1.06 -0.94 0.23 0.00 0.00 176.35 176.06 1b1g s SER 24 N 2.16 5.33 0.14 2.29 1.04 -1.26 -0.63 113.70 122.77 1b1g s SER 24 Ca 0.33 1.53 -0.28 0.00 0.48 0.00 0.00 55.95 58.01 1b1g s SER 24 Cb -0.11 -2.40 -0.04 0.00 0.10 0.00 0.00 66.02 63.57 1b1g s SER 24 CO 0.24 -1.47 1.59 0.50 0.98 0.00 0.00 173.24 175.08 1b1g h LYS 25 N -0.73 -0.43 -0.54 4.02 3.64 -1.98 0.33 116.57 120.87 1b1g h LYS 25 Ca -0.44 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 58.99 1b1g h LYS 25 Cb 1.22 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1b1g h LYS 25 CO 0.58 -0.29 0.33 1.49 -2.27 0.00 0.00 179.45 179.29 1b1g h GLU 26 N -0.45 0.64 -0.88 1.90 4.81 -1.97 -2.95 114.58 115.69 1b1g h GLU 26 Ca 0.09 -0.04 0.19 0.00 -0.13 0.00 0.00 59.36 59.47 1b1g h GLU 26 Cb 0.60 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.78 1b1g h GLU 26 CO -0.42 0.42 0.58 1.49 -0.73 0.00 0.00 179.01 180.35 1b1g h GLU 27 N 0.66 0.44 -1.00 1.92 4.81 -1.35 0.27 114.58 120.32 1b1g h GLU 27 Ca 0.22 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.61 1b1g h GLU 27 Cb 0.01 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.18 1b1g h GLU 27 CO -0.09 0.29 0.61 1.25 -0.73 0.00 0.00 179.01 180.34 1b1g h LEU 28 N 0.45 0.77 -0.27 1.64 5.85 -1.05 -3.18 115.31 119.52 1b1g h LEU 28 Ca 0.45 0.10 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1b1g h LEU 28 Cb 1.05 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1b1g h LEU 28 CO -0.18 0.27 -0.22 0.50 -0.34 0.00 0.00 178.44 178.47 1b1g h LYS 29 N 0.75 -0.07 -0.73 1.25 1.63 -0.60 -1.42 116.57 117.39 1b1g h LYS 29 Ca 0.58 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.48 1b1g h LYS 29 Cb 0.93 0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.50 1b1g h LYS 29 CO -0.38 -0.05 0.38 -0.07 -3.45 0.00 0.00 179.45 175.88 1b1g h LEU 30 N -0.07 0.51 -0.19 5.20 3.38 -1.70 -1.30 115.31 121.13 1b1g h LEU 30 Ca 0.04 0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.11 1b1g h LEU 30 Cb 0.19 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 1b1g h LEU 30 CO -0.30 0.29 -0.52 0.25 0.09 0.00 0.00 178.44 178.26 1b1g h LEU 31 N 0.64 -1.67 0.47 1.67 6.46 -1.42 -1.31 115.31 120.15 1b1g h LEU 31 Ca 0.35 0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 58.31 1b1g h LEU 31 Cb 0.35 0.66 -0.01 0.00 -0.73 0.00 0.00 40.66 40.93 1b1g h LEU 31 CO -0.26 -0.46 -0.36 -0.07 -0.62 0.00 0.00 178.44 176.67 1b1g h LEU 32 N -0.53 -0.95 -2.39 2.25 3.38 -0.63 0.46 115.31 116.89 1b1g h LEU 32 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 1b1g h LEU 32 Cb 0.66 0.30 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 1b1g h LEU 32 CO -0.47 -0.53 -0.03 1.56 0.09 0.00 0.00 178.44 179.06 1b1g h GLN 33 N -0.82 0.00 0.00 1.13 4.20 -1.02 -1.95 115.11 116.65 1b1g h GLN 33 Ca -0.05 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.53 1b1g h GLN 33 Cb 0.70 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.46 1b1g h GLN 33 CO 0.00 0.03 -1.35 2.41 -0.67 0.00 0.00 178.83 179.26 1b1g n THR 34 N -3.53 1.50 -0.02 -0.54 -1.04 -0.52 -4.77 114.28 105.35 1b1g n THR 34 Ca -0.02 0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1b1g n THR 34 Cb 0.14 -2.22 -0.14 0.00 -1.82 0.00 0.00 70.33 66.29 1b1g n THR 34 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1b1g n GLU 35 N -4.43 0.65 -2.51 -2.82 -0.58 0.14 -4.59 120.64 106.51 1b1g n GLU 35 Ca -0.25 0.28 -0.25 0.00 -0.42 0.00 0.00 57.16 56.52 1b1g n GLU 35 Cb 0.59 -1.77 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 1b1g n GLU 35 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1b1g n PHE 36 N -3.09 3.22 -0.14 -0.32 3.01 -0.74 -4.90 117.46 114.50 1b1g n PHE 36 Ca -0.19 -3.11 0.02 0.00 1.01 0.00 0.00 57.45 55.17 1b1g n PHE 36 Cb 1.06 -0.12 0.31 0.00 -0.01 0.00 0.00 39.48 40.72 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1b1g h PRO 37 N 2.63 0.82 0.00 -1.08 0.13 -1.81 -1.14 132.00 131.55 1b1g h PRO 37 Ca 0.26 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.34 1b1g h PRO 37 Cb 0.93 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.88 1b1g h PRO 37 CO 0.82 0.54 -0.02 0.66 -0.23 0.00 0.00 178.00 179.77 1b1g h SER 38 N 0.84 0.00 -0.19 1.44 4.64 -1.92 -3.37 113.55 114.99 1b1g h SER 38 Ca 0.23 -0.27 0.06 0.00 -0.47 0.00 0.00 61.79 61.34 1b1g h SER 38 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1b1g h SER 38 CO -0.05 0.64 0.15 -0.07 -0.87 0.00 0.00 176.83 176.63 1b1g h LEU 39 N -1.00 0.00 0.00 5.97 3.38 -1.94 -1.98 115.31 119.75 1b1g h LEU 39 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1b1g h LEU 39 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1b1g h LEU 39 CO -0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1b1g n LEU 40 N -4.32 0.00 -2.00 1.67 -0.00 -0.44 -4.43 117.00 107.48 1b1g n LEU 40 Ca 0.02 0.26 -0.10 0.00 -0.00 0.00 0.00 56.01 56.19 1b1g n LEU 40 Cb 0.28 -0.26 -0.14 0.00 -0.00 0.00 0.00 43.42 43.30 1b1g n LEU 40 CO 0.33 -0.12 1.48 0.29 -0.00 0.00 0.00 177.39 179.38 1b1g n LYS 41 N -1.26 1.76 -1.25 1.47 4.76 -0.74 -4.83 118.16 118.07 1b1g n LYS 41 Ca 0.08 -0.85 -0.10 0.00 -2.87 0.00 0.00 58.31 54.58 1b1g n LYS 41 Cb 0.13 -1.89 0.05 0.00 -1.84 0.00 0.00 35.03 31.49 1b1g n LYS 41 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1b1g n GLY 42 N 2.47 0.29 1.98 0.72 0.00 -1.26 -4.98 105.19 104.40 1b1g n GLY 42 Ca 0.36 -1.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.29 1b1g n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1b1g n GLY 43 N 1.90 4.07 3.86 -0.02 0.00 -1.26 -4.96 105.19 108.78 1b1g n GLY 43 Ca 0.06 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.55 1b1g n GLY 43 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1b1g s SER 44 N 0.31 6.19 0.27 1.61 1.04 -1.26 -5.07 113.70 116.78 1b1g s SER 44 Ca 0.35 0.34 0.09 0.00 0.48 0.00 0.00 55.95 57.22 1b1g s SER 44 Cb 0.26 -1.93 -0.05 0.00 0.10 0.00 0.00 66.02 64.40 1b1g s SER 44 CO -0.04 0.32 -0.14 0.42 0.98 0.00 0.00 173.24 174.78 1b1g s THR 45 N -1.18 2.06 0.21 2.02 -4.23 -1.26 -5.01 115.64 108.25 1b1g s THR 45 Ca 0.22 -2.27 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 1b1g s THR 45 Cb -0.12 -2.31 0.14 0.00 1.34 0.00 0.00 72.50 71.55 1b1g s THR 45 CO 0.12 -0.41 1.82 0.25 -0.54 0.00 0.00 174.62 175.86 1b1g h LEU 46 N 2.32 0.61 0.39 4.79 5.85 -1.98 0.41 115.31 127.70 1b1g h LEU 46 Ca -0.40 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1b1g h LEU 46 Cb 1.24 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1b1g h LEU 46 CO 0.64 0.41 -0.19 0.44 -0.34 0.00 0.00 178.44 179.40 1b1g h ASP 47 N 0.75 -0.44 -1.01 1.25 3.32 -1.97 -0.14 116.42 118.17 1b1g h ASP 47 Ca 0.29 -0.11 0.24 0.00 0.02 0.00 0.00 57.03 57.47 1b1g h ASP 47 Cb 0.13 0.11 -0.11 0.00 0.22 0.00 0.00 39.33 39.69 1b1g h ASP 47 CO -0.16 -0.01 0.62 -0.33 -1.72 0.00 0.00 179.24 177.65 1b1g h GLU 48 N -1.00 0.54 0.18 3.56 5.08 -1.93 0.33 114.58 121.33 1b1g h GLU 48 Ca -0.05 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1b1g h GLU 48 Cb 0.53 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1b1g h GLU 48 CO 0.09 0.36 -0.09 1.25 -1.00 0.00 0.00 179.01 179.62 1b1g h LEU 49 N 0.55 -0.20 -1.27 1.33 5.85 -0.86 -2.89 115.31 117.82 1b1g h LEU 49 Ca 0.61 0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.72 1b1g h LEU 49 Cb 1.24 0.05 -0.13 0.00 0.37 0.00 0.00 40.66 42.19 1b1g h LEU 49 CO -0.38 -0.07 0.73 0.15 -0.34 0.00 0.00 178.44 178.53 1b1g h PHE 50 N -0.39 0.66 0.00 1.25 3.57 -0.66 0.10 116.94 121.47 1b1g h PHE 50 Ca -0.02 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.39 1b1g h PHE 50 Cb 0.18 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 1b1g h PHE 50 CO 0.08 -0.20 -0.56 0.93 -2.23 0.00 0.00 178.31 176.33 1b1g h GLU 51 N 0.16 0.00 -0.59 1.11 5.08 -0.41 0.43 114.58 120.37 1b1g h GLU 51 Ca 0.78 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 59.13 1b1g h GLU 51 Cb 2.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.45 1b1g h GLU 51 CO -0.49 0.56 0.34 1.49 -1.00 0.00 0.00 179.01 179.92 1b1g h GLU 52 N 0.00 0.80 0.39 2.33 4.57 -0.76 -3.38 114.58 118.54 1b1g h GLU 52 Ca -0.01 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 1b1g h GLU 52 Cb 1.15 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1b1g h GLU 52 CO 0.07 0.59 -0.19 -0.07 -1.18 0.00 0.00 179.01 178.24 1b1g h LEU 53 N 0.79 -0.44 -8.92 1.64 3.38 -0.88 -3.45 115.31 107.43 1b1g h LEU 53 Ca 0.21 0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.58 1b1g h LEU 53 Cb 0.00 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 40.76 1b1g h LEU 53 CO -0.04 -0.03 0.27 -0.62 0.09 0.00 0.00 178.44 178.11 1b1g s ASP 54 N -4.78 6.60 0.00 -0.43 -1.08 0.14 -4.74 116.67 112.37 1b1g s ASP 54 Ca -0.08 0.60 0.04 0.00 -0.52 0.00 0.00 52.55 52.60 1b1g s ASP 54 Cb 0.01 -2.37 0.20 0.00 -1.46 0.00 0.00 42.92 39.30 1b1g s ASP 54 CO 0.23 -0.52 1.04 0.29 0.52 0.00 0.00 175.17 176.73 1b1g n LYS 55 N 5.99 0.03 0.00 4.34 4.76 -1.26 -4.04 118.16 127.98 1b1g n LYS 55 Ca 0.01 0.33 0.00 0.00 -2.87 0.00 0.00 58.31 55.78 1b1g n LYS 55 Cb 0.48 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1b1g n LYS 55 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 1b1g n ASN 56 N -1.38 0.00 -1.30 4.39 5.15 -1.26 -5.11 115.26 115.75 1b1g n ASN 56 Ca 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.00 1b1g n ASN 56 Cb 0.04 0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1b1g n GLY 57 N 1.14 -0.36 0.00 8.20 0.00 -1.26 -5.03 105.19 107.89 1b1g n GLY 57 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1b1g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b1g n ASP 58 N -0.61 0.00 0.00 1.61 5.75 -1.26 -5.00 116.55 117.04 1b1g n ASP 58 Ca 0.00 -0.26 0.00 0.00 -0.01 0.00 0.00 54.79 54.52 1b1g n ASP 58 Cb 0.17 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b1g n GLY 59 N 0.00 0.90 0.00 6.12 0.00 -1.26 -5.17 105.19 105.78 1b1g n GLY 59 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1b1g n GLY 59 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b1g n GLU 60 N 0.00 0.64 -1.79 1.61 4.71 -1.26 -4.94 120.64 119.61 1b1g n GLU 60 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.16 56.83 1b1g n GLU 60 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 31.44 30.47 1b1g n GLU 60 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 1b1g s VAL 61 N -0.29 3.61 0.30 2.62 1.01 0.20 -4.75 120.40 123.10 1b1g s VAL 61 Ca 0.00 0.69 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1b1g s VAL 61 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1b1g s VAL 61 CO 0.00 -0.52 0.19 -0.94 0.00 0.00 0.00 175.10 173.82 1b1g s SER 62 N -2.95 1.36 0.32 3.32 1.04 -1.26 0.03 113.70 115.55 1b1g s SER 62 Ca 0.63 -1.59 0.06 0.00 0.48 0.00 0.00 55.95 55.53 1b1g s SER 62 Cb -0.17 0.44 0.88 0.00 0.10 0.00 0.00 66.02 67.27 1b1g s SER 62 CO 0.43 -0.93 1.57 0.15 0.98 0.00 0.00 173.24 175.45 1b1g h PHE 63 N 2.25 0.14 -0.13 5.02 3.04 -1.96 0.15 116.94 125.45 1b1g h PHE 63 Ca -0.32 0.07 0.01 0.00 3.98 0.00 0.00 57.97 61.71 1b1g h PHE 63 Cb 1.25 0.10 -0.02 0.00 2.56 0.00 0.00 35.95 39.84 1b1g h PHE 63 CO 1.11 -0.44 -0.08 -1.91 -2.02 0.00 0.00 178.31 174.97 1b1g n GLU 64 N -5.44 -0.06 0.06 1.11 4.07 -1.26 -1.46 120.64 117.66 1b1g n GLU 64 Ca 0.26 0.74 -0.07 0.00 -0.06 0.00 0.00 57.16 58.03 1b1g n GLU 64 Cb 0.87 -1.10 -0.12 0.00 -0.06 0.00 0.00 31.44 31.04 1b1g n GLU 64 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1b1g h GLU 65 N 0.00 0.00 -0.75 5.31 5.08 -1.18 -3.16 114.58 119.89 1b1g h GLU 65 Ca 0.02 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.60 1b1g h GLU 65 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1b1g h GLU 65 CO -0.12 0.97 0.55 0.35 -1.00 0.00 0.00 179.01 179.76 1b1g h PHE 66 N 0.00 0.00 -0.69 4.33 3.57 -0.14 0.58 116.94 124.59 1b1g h PHE 66 Ca -0.02 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.68 1b1g h PHE 66 Cb 1.78 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 40.49 1b1g h PHE 66 CO 0.00 0.00 0.50 1.96 -2.23 0.00 0.00 178.31 178.54 1b1g h GLN 67 N 0.00 0.00 -0.75 1.11 1.08 -1.21 0.39 115.11 115.72 1b1g h GLN 67 Ca 0.35 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.60 1b1g h GLN 67 Cb 1.44 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.82 1b1g h GLN 67 CO -0.00 0.00 0.45 0.28 -0.95 0.00 0.00 178.83 178.61 1b1g h VAL 68 N 0.00 1.04 -0.34 -0.54 2.07 -1.11 -0.71 116.25 116.65 1b1g h VAL 68 Ca 0.33 -0.29 -0.16 0.00 0.82 0.00 0.00 66.70 67.40 1b1g h VAL 68 Cb 1.33 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 1b1g h VAL 68 CO -0.00 0.15 -0.42 0.25 0.02 0.00 0.00 177.57 177.57 1b1g h LEU 69 N 0.85 0.93 -1.60 2.57 6.46 -0.43 0.88 115.31 124.97 1b1g h LEU 69 Ca 0.32 -0.44 0.23 0.00 -0.12 0.00 0.00 57.88 57.87 1b1g h LEU 69 Cb 0.13 -0.26 -0.06 0.00 -0.73 0.00 0.00 40.66 39.73 1b1g h LEU 69 CO -0.16 1.23 0.62 0.58 -0.62 0.00 0.00 178.44 180.09 1b1g h VAL 70 N 0.70 0.62 0.30 1.05 2.07 -0.59 0.24 116.25 120.64 1b1g h VAL 70 Ca 0.05 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1b1g h VAL 70 Cb 1.01 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1b1g h VAL 70 CO 0.10 0.06 -0.14 0.50 0.02 0.00 0.00 177.57 178.10 1b1g h LYS 71 N 0.31 -0.39 0.00 1.57 3.64 -0.72 -3.38 116.57 117.59 1b1g h LYS 71 Ca 0.48 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.89 1b1g h LYS 71 Cb 1.37 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.27 1b1g h LYS 71 CO -0.15 -0.06 0.00 -0.22 -2.27 0.00 0.00 179.45 176.74 1b1g h LYS 72 N -0.95 0.00 -0.37 1.90 3.64 0.19 0.12 116.57 121.10 1b1g h LYS 72 Ca -0.04 0.00 0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1b1g h LYS 72 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 1b1g h LYS 72 CO 0.07 0.00 0.26 -0.84 -2.27 0.00 0.00 179.45 176.66 1b1g h ILE 73 N 0.00 0.88 -0.06 2.00 3.07 -1.06 0.85 117.51 123.20 1b1g h ILE 73 Ca 0.00 -0.05 0.00 0.00 1.55 0.00 0.00 64.86 66.36 1b1g h ILE 73 Cb 0.29 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 37.58 1b1g h ILE 73 CO 0.00 0.03 0.00 -1.20 -1.05 0.00 0.00 178.15 175.93 1b1g n SER 74 N -4.46 2.44 0.00 2.16 7.64 0.41 -5.07 113.62 116.74 1b1g n SER 74 Ca 0.05 -1.81 0.00 0.00 1.01 0.00 0.00 58.87 58.12 1b1g n SER 74 Cb 0.35 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1b1g n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03