#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 6.19 0.42 4.39 1.04 -1.26 -5.00 113.70 119.48 1b1g s SER 2 Ca 0.00 0.06 0.16 0.00 0.48 0.00 0.00 55.95 56.65 1b1g s SER 2 Cb 0.00 -1.80 1.05 0.00 0.10 0.00 0.00 66.02 65.37 1b1g s SER 2 CO 0.00 -0.01 1.90 1.55 0.98 0.00 0.00 173.24 177.66 1b1g h PRO 3 N 1.66 0.41 -1.03 4.02 0.13 -2.04 0.18 132.00 135.34 1b1g h PRO 3 Ca -0.50 -0.02 0.26 0.00 -0.87 0.00 0.00 66.00 64.86 1b1g h PRO 3 Cb 1.22 -0.09 -0.11 0.00 0.13 0.00 0.00 31.00 32.14 1b1g h PRO 3 CO 0.64 0.27 0.63 0.93 -0.23 0.00 0.00 178.00 180.25 1b1g h GLU 4 N 0.43 0.47 0.26 0.86 5.08 -1.98 0.19 114.58 119.90 1b1g h GLU 4 Ca 0.40 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1b1g h GLU 4 Cb 0.92 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1b1g h GLU 4 CO -0.14 0.31 -0.20 0.93 -1.00 0.00 0.00 179.01 178.92 1b1g h GLU 5 N 0.49 -0.45 -0.34 2.33 4.39 -1.34 0.62 114.58 120.27 1b1g h GLU 5 Ca 0.63 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 60.29 1b1g h GLU 5 Cb 1.39 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.12 1b1g h GLU 5 CO -0.40 -0.30 -0.06 -0.07 -1.16 0.00 0.00 179.01 177.02 1b1g h LEU 6 N -0.47 0.53 -0.21 1.33 3.38 -1.24 0.11 115.31 118.74 1b1g h LEU 6 Ca -0.02 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1b1g h LEU 6 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1b1g h LEU 6 CO -0.01 0.65 0.09 0.50 0.09 0.00 0.00 178.44 179.76 1b1g h LYS 7 N 0.52 0.19 -0.02 1.13 3.64 -0.49 0.98 116.57 122.54 1b1g h LYS 7 Ca 0.10 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1b1g h LYS 7 Cb 0.43 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 1b1g h LYS 7 CO 0.02 0.13 -0.14 0.78 -2.27 0.00 0.00 179.45 177.97 1b1g h GLY 8 N 0.20 -0.15 0.59 5.01 0.00 0.29 -0.34 103.07 108.67 1b1g h GLY 8 Ca 0.09 0.16 0.02 0.00 0.00 0.00 0.00 47.33 47.60 1b1g h GLY 8 CO -0.08 -0.14 -0.19 -2.22 0.00 0.00 0.00 176.54 173.92 1b1g h ILE 9 N -0.22 0.56 -0.30 2.60 1.08 -0.65 0.23 117.51 120.81 1b1g h ILE 9 Ca 0.05 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.59 1b1g h ILE 9 Cb 0.29 0.56 -0.08 0.00 -3.07 0.00 0.00 36.82 34.52 1b1g h ILE 9 CO -0.15 0.00 -0.33 0.15 -0.69 0.00 0.00 178.15 177.13 1b1g h PHE 10 N -0.32 -0.91 -0.92 1.37 3.57 -0.62 -1.47 116.94 117.64 1b1g h PHE 10 Ca 0.05 0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.65 1b1g h PHE 10 Cb 0.38 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 39.50 1b1g h PHE 10 CO -0.22 -0.39 0.58 1.49 -2.23 0.00 0.00 178.31 177.55 1b1g h GLU 11 N -0.31 1.06 -0.03 1.11 4.22 -0.52 0.12 114.58 120.24 1b1g h GLU 11 Ca 0.14 -0.06 0.03 0.00 0.08 0.00 0.00 59.36 59.55 1b1g h GLU 11 Cb 0.54 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.49 1b1g h GLU 11 CO -0.47 0.70 -0.45 -0.22 -2.18 0.00 0.00 179.01 176.39 1b1g h LYS 12 N 1.09 -0.57 0.01 1.92 3.64 0.44 -2.89 116.57 120.22 1b1g h LYS 12 Ca 0.38 0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1b1g h LYS 12 Cb 0.10 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1b1g h LYS 12 CO -0.15 -0.38 -0.95 1.88 -2.27 0.00 0.00 179.45 177.58 1b1g h TYR 13 N -0.59 0.50 -0.73 1.91 -1.99 -1.01 -3.25 116.97 111.81 1b1g h TYR 13 Ca 0.04 -0.28 0.21 0.00 2.00 0.00 0.00 58.73 60.70 1b1g h TYR 13 Cb 0.67 -0.05 -0.03 0.00 2.00 0.00 0.00 36.73 39.32 1b1g h TYR 13 CO -0.46 1.11 0.64 0.00 -0.00 0.00 0.00 178.16 179.44 1b1g h ALA 14 N 0.80 2.57 0.00 3.88 0.00 -0.55 -0.52 119.26 125.45 1b1g h ALA 14 Ca -0.07 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1b1g h ALA 14 Cb 1.59 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1b1g h ALA 14 CO 0.16 -1.02 -0.54 0.00 0.00 0.00 0.00 179.25 177.85 1b1g h ALA 15 N 1.41 0.75 -0.07 0.00 0.00 -1.56 -3.37 119.26 116.42 1b1g h ALA 15 Ca 0.35 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1b1g h ALA 15 Cb 1.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1b1g h ALA 15 CO -0.00 0.68 0.01 -0.22 0.00 0.00 0.00 179.25 179.72 1b1g h LYS 16 N 0.00 0.12 -6.24 0.00 1.63 -1.26 -3.44 116.57 107.39 1b1g h LYS 16 Ca -0.01 -0.03 -0.68 0.00 -0.85 0.00 0.00 60.65 59.08 1b1g h LYS 16 Cb 1.26 -0.01 -0.19 0.00 -0.60 0.00 0.00 32.23 32.69 1b1g h LYS 16 CO 0.07 0.34 -0.71 -1.21 -3.45 0.00 0.00 179.45 174.49 1b1g s GLU 17 N -5.19 2.62 0.20 1.90 0.41 -1.26 -5.00 118.70 112.38 1b1g s GLU 17 Ca -0.14 -0.65 0.00 0.00 -0.41 0.00 0.00 54.97 53.77 1b1g s GLU 17 Cb 0.05 -2.52 0.00 0.00 -1.78 0.00 0.00 34.13 29.88 1b1g s GLU 17 CO 0.69 0.63 0.00 0.41 -0.49 0.00 0.00 175.26 176.50 1b1g n GLY 18 N 1.92 0.26 3.89 -1.39 0.00 -1.26 -4.66 105.19 103.95 1b1g n GLY 18 Ca -0.17 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1b1g n GLY 18 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1b1g s ASP 19 N -4.00 6.25 0.05 1.61 -4.77 -1.26 -5.02 116.67 109.53 1b1g s ASP 19 Ca 0.00 1.09 0.24 0.00 -3.30 0.00 0.00 52.55 50.58 1b1g s ASP 19 Cb 0.00 -2.32 0.36 0.00 -1.09 0.00 0.00 42.92 39.87 1b1g s ASP 19 CO 0.00 -0.67 1.31 -0.81 0.70 0.00 0.00 175.17 175.69 1b1g n PRO 20 N -2.41 0.14 -0.02 2.11 -0.04 -1.26 -4.44 135.00 129.08 1b1g n PRO 20 Ca 0.02 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.48 1b1g n PRO 20 Cb 0.55 -1.58 -0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1b1g n PRO 20 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1b1g n ASN 21 N -1.78 3.63 -4.92 3.54 5.15 -1.26 -4.45 115.26 115.17 1b1g n ASN 21 Ca 0.04 -0.02 -0.20 0.00 -0.60 0.00 0.00 54.58 53.80 1b1g n ASN 21 Cb 0.39 -0.06 -0.02 0.00 -0.53 0.00 0.00 39.78 39.55 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 -2.08 3.05 -0.50 1.20 -0.21 -1.26 -4.75 119.66 115.11 1b1g s GLN 22 Ca -0.05 -1.04 -0.19 0.00 0.02 0.00 0.00 55.36 54.10 1b1g s GLN 22 Cb 0.01 -2.70 0.06 0.00 1.00 0.00 0.00 33.01 31.39 1b1g s GLN 22 CO 0.09 0.20 0.60 -0.51 -2.12 0.00 0.00 175.29 173.55 1b1g s LEU 23 N -4.03 5.07 0.75 2.90 1.43 0.85 -4.46 118.68 121.19 1b1g s LEU 23 Ca 0.40 -0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 52.40 1b1g s LEU 23 Cb -0.08 -2.41 0.04 0.00 0.03 0.00 0.00 46.19 43.78 1b1g s LEU 23 CO 0.28 -0.87 1.09 -0.94 0.23 0.00 0.00 176.35 176.14 1b1g s SER 24 N 2.71 4.70 0.17 2.29 1.04 -1.26 -0.52 113.70 122.83 1b1g s SER 24 Ca 0.13 1.79 -0.15 0.00 0.48 0.00 0.00 55.95 58.21 1b1g s SER 24 Cb -0.20 -2.52 0.13 0.00 0.10 0.00 0.00 66.02 63.53 1b1g s SER 24 CO 0.11 -1.90 1.71 0.50 0.98 0.00 0.00 173.24 174.64 1b1g h LYS 25 N -0.99 0.17 0.00 4.02 3.64 -1.99 0.26 116.57 121.69 1b1g h LYS 25 Ca -0.44 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1b1g h LYS 25 Cb 1.23 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1b1g h LYS 25 CO 0.52 0.11 0.00 -0.85 -2.27 0.00 0.00 179.45 176.97 1b1g n GLU 26 N -5.14 0.03 -0.10 1.90 0.00 -1.26 -2.53 120.64 113.55 1b1g n GLU 26 Ca 0.03 0.38 -0.17 0.00 0.00 0.00 0.00 57.16 57.40 1b1g n GLU 26 Cb 0.21 -1.58 -0.13 0.00 0.00 0.00 0.00 31.44 29.94 1b1g n GLU 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 1b1g n GLU 27 N -1.64 0.68 -0.34 3.44 2.13 0.63 -4.07 120.64 121.47 1b1g n GLU 27 Ca 0.02 0.16 0.05 0.00 0.66 0.00 0.00 57.16 58.04 1b1g n GLU 27 Cb 0.11 -1.57 0.20 0.00 0.27 0.00 0.00 31.44 30.46 1b1g n GLU 27 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 1b1g h LEU 28 N 0.01 0.88 -0.51 4.31 5.85 -0.46 -3.00 115.31 122.39 1b1g h LEU 28 Ca -0.54 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1b1g h LEU 28 Cb 1.97 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 1b1g h LEU 28 CO -0.03 0.50 -0.30 1.17 -0.34 0.00 0.00 178.44 179.44 1b1g n LYS 29 N -4.63 -0.22 -0.30 1.25 4.81 -1.06 -1.60 118.16 116.41 1b1g n LYS 29 Ca 0.17 1.24 0.08 0.00 -0.87 0.00 0.00 58.31 58.92 1b1g n LYS 29 Cb 0.29 -1.84 0.29 0.00 0.02 0.00 0.00 35.03 33.80 1b1g n LYS 29 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1b1g h LEU 30 N 0.00 0.82 -0.28 3.14 3.38 -1.71 -0.31 115.31 120.35 1b1g h LEU 30 Ca 0.08 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.15 1b1g h LEU 30 Cb 0.21 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.74 1b1g h LEU 30 CO -0.48 0.46 -0.31 0.25 0.09 0.00 0.00 178.44 178.46 1b1g h LEU 31 N 0.89 -1.00 0.06 1.67 6.46 -1.34 -0.32 115.31 121.73 1b1g h LEU 31 Ca 0.44 0.17 0.03 0.00 -0.12 0.00 0.00 57.88 58.39 1b1g h LEU 31 Cb 0.46 0.46 -0.04 0.00 -0.73 0.00 0.00 40.66 40.80 1b1g h LEU 31 CO -0.20 -0.33 -0.31 -0.07 -0.62 0.00 0.00 178.44 176.91 1b1g h LEU 32 N -0.30 -0.92 0.02 2.25 3.38 -0.69 -0.92 115.31 118.13 1b1g h LEU 32 Ca 0.14 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1b1g h LEU 32 Cb 0.53 0.36 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1b1g h LEU 32 CO -0.45 -0.39 -0.01 1.56 0.09 0.00 0.00 178.44 179.24 1b1g h GLN 33 N -0.50 -0.02 0.24 1.13 4.20 -1.08 -1.19 115.11 117.89 1b1g h GLN 33 Ca 0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1b1g h GLN 33 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.35 1b1g h GLN 33 CO -0.22 0.06 -0.12 1.15 -0.67 0.00 0.00 178.83 179.03 1b1g h THR 34 N -0.09 0.00 0.00 -0.54 2.02 -0.95 -3.41 112.91 109.94 1b1g h THR 34 Ca -0.00 -0.26 -0.15 0.00 0.77 0.00 0.00 66.41 66.77 1b1g h THR 34 Cb 0.09 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.47 1b1g h THR 34 CO 0.00 0.00 -2.13 -0.62 0.37 0.00 0.00 175.52 173.14 1b1g n GLU 35 N -3.60 0.67 -2.36 6.66 -0.58 -0.36 -4.67 120.64 116.40 1b1g n GLU 35 Ca -0.04 -0.12 -0.12 0.00 -0.42 0.00 0.00 57.16 56.46 1b1g n GLU 35 Cb 0.13 -1.53 0.04 0.00 -0.57 0.00 0.00 31.44 29.51 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 -2.46 2.00 0.26 -0.32 3.72 -0.55 -4.92 117.46 115.19 1b1g n PHE 36 Ca -0.15 -2.15 0.12 0.00 -0.05 0.00 0.00 57.45 55.21 1b1g n PHE 36 Cb 0.80 -0.29 0.70 0.00 -0.94 0.00 0.00 39.48 39.76 1b1g n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1b1g h PRO 37 N 2.34 0.00 -0.54 -1.08 0.13 -1.50 -3.07 132.00 128.29 1b1g h PRO 37 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1b1g h PRO 37 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1b1g h PRO 37 CO 0.48 0.12 0.00 -1.13 -0.23 0.00 0.00 178.00 177.24 1b1g n SER 38 N -3.74 3.64 0.14 1.44 3.41 -1.26 -4.23 113.62 113.02 1b1g n SER 38 Ca -0.02 -2.12 -0.09 0.00 -0.26 0.00 0.00 58.87 56.38 1b1g n SER 38 Cb 0.23 -0.40 -0.05 0.00 -0.26 0.00 0.00 64.21 63.74 1b1g n SER 38 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1b1g h LEU 39 N 3.18 -0.36 -4.66 1.04 5.85 -1.91 -3.39 115.31 115.06 1b1g h LEU 39 Ca 0.00 -0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.43 1b1g h LEU 39 Cb 0.98 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 1b1g h LEU 39 CO 0.05 0.11 0.77 0.00 -0.34 0.00 0.00 178.44 179.03 1b1g n LEU 40 N -5.06 3.97 0.08 2.25 -0.00 -1.26 -3.93 117.00 113.05 1b1g n LEU 40 Ca -0.07 -2.47 -0.23 0.00 -0.00 0.00 0.00 56.01 53.25 1b1g n LEU 40 Cb 0.21 -0.98 -0.15 0.00 -0.00 0.00 0.00 43.42 42.51 1b1g n LEU 40 CO 0.18 0.88 -0.51 0.11 -0.00 0.00 0.00 177.39 178.05 1b1g h LYS 41 N 4.68 0.41 -5.30 1.47 1.57 -1.86 -3.43 116.57 114.12 1b1g h LYS 41 Ca 0.25 -0.69 -0.39 0.00 -1.87 0.00 0.00 60.65 57.94 1b1g h LYS 41 Cb 0.73 0.26 -0.14 0.00 0.08 0.00 0.00 32.23 33.16 1b1g h LYS 41 CO 0.67 1.33 -0.71 0.20 -0.57 0.00 0.00 179.45 180.36 1b1g s GLY 42 N -5.08 1.30 -0.67 3.86 0.00 -1.25 -4.71 107.32 100.77 1b1g s GLY 42 Ca -0.15 -1.61 -0.01 0.00 0.00 0.00 0.00 44.72 42.94 1b1g s GLY 42 CO 0.86 -1.68 0.57 0.61 0.00 0.00 0.00 173.10 173.46 1b1g n GLY 43 N -0.32 -0.12 0.11 0.20 0.00 -1.26 -4.97 105.19 98.84 1b1g n GLY 43 Ca -0.09 -0.02 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1b1g n GLY 43 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b1g h SER 44 N -0.95 0.49 -3.78 1.61 4.64 -1.84 -3.41 113.55 110.31 1b1g h SER 44 Ca -0.35 -0.51 -0.68 0.00 -0.47 0.00 0.00 61.79 59.78 1b1g h SER 44 Cb 1.19 -0.16 -0.20 0.00 -0.31 0.00 0.00 62.40 62.93 1b1g h SER 44 CO 0.28 1.39 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.93 1b1g s THR 45 N -2.70 2.76 0.23 2.95 2.01 -1.26 -4.94 115.64 114.69 1b1g s THR 45 Ca -0.05 -1.50 -0.06 0.00 0.31 0.00 0.00 61.69 60.39 1b1g s THR 45 Cb 0.07 -2.25 0.19 0.00 0.01 0.00 0.00 72.50 70.52 1b1g s THR 45 CO 0.89 0.13 1.80 0.25 -0.69 0.00 0.00 174.62 176.99 1b1g h LEU 46 N 3.85 0.56 0.63 4.42 5.85 -1.99 0.64 115.31 129.27 1b1g h LEU 46 Ca -0.50 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 1b1g h LEU 46 Cb 1.17 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 42.15 1b1g h LEU 46 CO 0.45 0.33 -0.30 0.44 -0.34 0.00 0.00 178.44 179.02 1b1g h ASP 47 N 0.69 -0.71 -0.60 1.25 3.32 -1.97 0.92 116.42 119.33 1b1g h ASP 47 Ca 0.36 -0.02 0.12 0.00 0.02 0.00 0.00 57.03 57.51 1b1g h ASP 47 Cb 0.33 0.18 -0.10 0.00 0.22 0.00 0.00 39.33 39.97 1b1g h ASP 47 CO -0.24 -0.39 0.05 -0.33 -1.72 0.00 0.00 179.24 176.60 1b1g h GLU 48 N -1.03 0.16 0.72 3.56 5.08 -1.88 0.14 114.58 121.34 1b1g h GLU 48 Ca -0.09 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1b1g h GLU 48 Cb 0.69 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.91 1b1g h GLU 48 CO 0.14 0.11 -0.35 1.25 -1.00 0.00 0.00 179.01 179.16 1b1g h LEU 49 N 0.17 -0.82 -0.98 1.33 5.85 -0.77 0.10 115.31 120.19 1b1g h LEU 49 Ca 0.31 0.03 0.33 0.00 0.84 0.00 0.00 57.88 59.39 1b1g h LEU 49 Cb 0.49 0.21 -0.17 0.00 0.37 0.00 0.00 40.66 41.57 1b1g h LEU 49 CO -0.47 -0.48 0.39 0.15 -0.34 0.00 0.00 178.44 177.70 1b1g h PHE 50 N -1.20 0.60 0.00 1.25 3.57 -0.70 0.82 116.94 121.29 1b1g h PHE 50 Ca -0.10 0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 1b1g h PHE 50 Cb 0.75 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1b1g h PHE 50 CO 0.01 -0.34 -0.66 0.93 -2.23 0.00 0.00 178.31 176.02 1b1g h GLU 51 N 0.12 0.00 -0.23 1.11 5.08 -0.32 0.29 114.58 120.63 1b1g h GLU 51 Ca 0.72 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.08 1b1g h GLU 51 Cb 1.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.94 1b1g h GLU 51 CO -0.74 0.66 0.15 1.49 -1.00 0.00 0.00 179.01 179.58 1b1g h GLU 52 N 0.00 0.31 0.58 2.33 4.81 0.14 -3.37 114.58 119.38 1b1g h GLU 52 Ca -0.01 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1b1g h GLU 52 Cb 1.27 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1b1g h GLU 52 CO 0.09 0.21 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.22 1b1g h LEU 53 N 0.31 -0.66 -9.36 1.64 3.38 -0.50 -3.46 115.31 106.67 1b1g h LEU 53 Ca 0.08 0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.52 1b1g h LEU 53 Cb -0.03 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 1b1g h LEU 53 CO -0.02 -0.37 0.09 -0.62 0.09 0.00 0.00 178.44 177.60 1b1g s ASP 54 N -3.90 6.98 0.29 -0.43 -1.08 0.99 -4.65 116.67 114.87 1b1g s ASP 54 Ca -0.11 1.18 0.19 0.00 -0.52 0.00 0.00 52.55 53.28 1b1g s ASP 54 Cb 0.01 -2.41 1.01 0.00 -1.46 0.00 0.00 42.92 40.07 1b1g s ASP 54 CO 0.34 -0.12 1.56 0.29 0.52 0.00 0.00 175.17 177.76 1b1g n LYS 55 N 3.80 0.12 0.00 4.34 4.76 -1.26 -4.06 118.16 125.85 1b1g n LYS 55 Ca -0.01 0.62 0.00 0.00 -2.87 0.00 0.00 58.31 56.04 1b1g n LYS 55 Cb 0.51 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 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 -2.16 0.00 -1.89 4.39 5.15 -1.26 -5.10 115.26 114.40 1b1g n ASN 56 Ca -0.01 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.95 1b1g n ASN 56 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.31 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 -0.07 -1.39 0.06 8.20 0.00 -1.26 -5.01 105.19 105.72 1b1g n GLY 57 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.30 0.00 0.00 1.61 5.75 -1.26 -4.99 116.55 117.36 1b1g n ASP 58 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 54.79 54.66 1b1g n ASP 58 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.98 0.00 6.12 0.00 -1.26 -5.17 105.19 105.87 1b1g n GLY 59 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 1.51 -1.86 1.61 4.71 -1.26 -4.85 120.64 120.48 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 0.03 0.00 -1.01 0.00 0.00 31.44 30.46 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 0.09 3.84 0.12 2.62 1.01 0.32 -4.75 120.40 123.65 1b1g s VAL 61 Ca 0.00 0.78 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 1b1g s VAL 61 Cb 0.00 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1b1g s VAL 61 CO 0.00 -0.61 0.25 -0.94 0.00 0.00 0.00 175.10 173.80 1b1g s SER 62 N -3.11 0.05 0.30 3.32 1.04 -1.26 -0.10 113.70 113.94 1b1g s SER 62 Ca 0.62 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 56.43 1b1g s SER 62 Cb -0.16 0.39 0.80 0.00 0.10 0.00 0.00 66.02 67.15 1b1g s SER 62 CO 0.43 -0.80 1.69 0.15 0.98 0.00 0.00 173.24 175.69 1b1g h PHE 63 N 2.64 0.70 -0.28 5.02 3.04 -1.97 0.92 116.94 127.01 1b1g h PHE 63 Ca -0.33 0.04 0.03 0.00 3.98 0.00 0.00 57.97 61.68 1b1g h PHE 63 Cb 1.22 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 39.53 1b1g h PHE 63 CO 0.41 -0.07 -0.16 -1.91 -2.02 0.00 0.00 178.31 174.55 1b1g n GLU 64 N -5.05 -0.12 0.05 1.11 4.07 -1.26 -1.19 120.64 118.24 1b1g n GLU 64 Ca 0.24 0.54 -0.19 0.00 -0.06 0.00 0.00 57.16 57.68 1b1g n GLU 64 Cb 0.71 -0.79 -0.14 0.00 -0.06 0.00 0.00 31.44 31.16 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 0.29 -0.77 5.31 5.08 -1.36 -3.25 114.58 119.88 1b1g h GLU 65 Ca 0.04 -0.49 0.22 0.00 -1.00 0.00 0.00 59.36 58.14 1b1g h GLU 65 Cb 0.11 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1b1g h GLU 65 CO -0.26 1.16 0.65 0.35 -1.00 0.00 0.00 179.01 179.91 1b1g h PHE 66 N 0.08 0.00 -0.33 4.33 3.57 -0.16 0.51 116.94 124.94 1b1g h PHE 66 Ca -0.32 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.27 1b1g h PHE 66 Cb 2.05 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 1b1g h PHE 66 CO 0.08 0.00 0.30 1.96 -2.23 0.00 0.00 178.31 178.42 1b1g h GLN 67 N 0.00 0.00 -0.44 1.11 1.08 -1.19 0.37 115.11 116.04 1b1g h GLN 67 Ca 0.37 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.57 1b1g h GLN 67 Cb 1.66 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 29.07 1b1g h GLN 67 CO -0.00 0.00 0.29 0.28 -0.95 0.00 0.00 178.83 178.44 1b1g h VAL 68 N 0.00 1.12 0.02 -0.54 2.07 -1.14 0.88 116.25 118.66 1b1g h VAL 68 Ca 0.15 -0.22 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1b1g h VAL 68 Cb 0.76 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1b1g h VAL 68 CO -0.00 0.11 -0.01 0.25 0.02 0.00 0.00 177.57 177.94 1b1g h LEU 69 N 0.59 -0.02 -0.99 2.57 7.12 -0.52 -1.13 115.31 122.93 1b1g h LEU 69 Ca 0.16 -0.06 0.18 0.00 0.13 0.00 0.00 57.88 58.30 1b1g h LEU 69 Cb -0.06 0.01 -0.11 0.00 -0.53 0.00 0.00 40.66 39.97 1b1g h LEU 69 CO -0.03 0.04 0.59 0.58 -0.13 0.00 0.00 178.44 179.49 1b1g h VAL 70 N -0.09 0.71 0.98 1.05 2.07 -0.61 0.14 116.25 120.50 1b1g h VAL 70 Ca -0.00 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1b1g h VAL 70 Cb 0.08 -0.11 0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1b1g h VAL 70 CO 0.00 0.14 -0.48 0.50 0.02 0.00 0.00 177.57 177.75 1b1g h LYS 71 N 0.75 -1.29 0.00 1.57 3.64 -0.44 -3.36 116.57 117.44 1b1g h LYS 71 Ca 0.57 0.09 0.00 0.00 -1.27 0.00 0.00 60.65 60.03 1b1g h LYS 71 Cb 0.87 0.29 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1b1g h LYS 71 CO -0.38 -0.86 0.00 -0.22 -2.27 0.00 0.00 179.45 175.72 1b1g h LYS 72 N -1.33 0.00 0.00 1.90 3.11 0.19 -1.99 116.57 118.44 1b1g h LYS 72 Ca -0.13 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.69 1b1g h LYS 72 Cb 1.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.25 1b1g h LYS 72 CO 0.22 0.00 -0.05 -0.84 -2.81 0.00 0.00 179.45 175.96 1b1g h ILE 73 N 0.00 0.59 -1.38 2.00 3.07 -0.95 -1.31 117.51 119.52 1b1g h ILE 73 Ca 0.00 -0.22 -0.54 0.00 1.55 0.00 0.00 64.86 65.65 1b1g h ILE 73 Cb 0.85 1.14 -0.42 0.00 -0.27 0.00 0.00 36.82 38.12 1b1g h ILE 73 CO 0.00 0.05 -0.82 -1.20 -1.05 0.00 0.00 178.15 175.13 1b1g n SER 74 N -3.82 4.09 0.00 2.16 7.64 -0.80 -5.12 113.62 117.76 1b1g n SER 74 Ca -0.03 -3.52 0.00 0.00 1.01 0.00 0.00 58.87 56.34 1b1g n SER 74 Cb 0.15 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 1b1g n SER 74 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03