#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 -0.24 0.19 4.39 1.04 -1.26 -5.00 113.70 112.82 1b1g s SER 2 Ca 0.00 -0.64 -0.20 0.00 0.48 0.00 0.00 55.95 55.58 1b1g s SER 2 Cb 0.00 0.71 0.14 0.00 0.10 0.00 0.00 66.02 66.97 1b1g s SER 2 CO 0.00 -1.31 1.58 -0.65 0.98 0.00 0.00 173.24 173.84 1b1g h PRO 3 N 2.04 -0.14 -0.24 4.02 0.11 -2.00 0.19 132.00 135.98 1b1g h PRO 3 Ca -0.20 0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.99 1b1g h PRO 3 Cb 1.25 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1b1g h PRO 3 CO 0.25 -0.09 0.27 1.05 -0.21 0.00 0.00 178.00 179.27 1b1g h GLU 4 N -0.14 0.00 0.08 1.05 9.09 -2.00 0.63 114.58 123.29 1b1g h GLU 4 Ca 0.25 0.00 -0.31 0.00 0.05 0.00 0.00 59.36 59.35 1b1g h GLU 4 Cb 0.56 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.64 1b1g h GLU 4 CO -0.72 0.00 -1.68 0.93 0.05 0.00 0.00 179.01 177.58 1b1g h GLU 5 N 0.00 0.17 -0.65 1.06 4.39 -1.14 -3.37 114.58 115.03 1b1g h GLU 5 Ca 0.11 -0.29 0.15 0.00 0.34 0.00 0.00 59.36 59.68 1b1g h GLU 5 Cb 0.65 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 29.37 1b1g h GLU 5 CO -0.00 1.14 0.45 -0.07 -1.16 0.00 0.00 179.01 179.36 1b1g h LEU 6 N -0.36 0.20 -0.69 1.33 3.38 -0.20 0.33 115.31 119.31 1b1g h LEU 6 Ca -0.39 0.01 0.13 0.00 0.09 0.00 0.00 57.88 57.72 1b1g h LEU 6 Cb 1.74 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 42.33 1b1g h LEU 6 CO -0.03 0.11 -0.25 0.50 0.09 0.00 0.00 178.44 178.87 1b1g h LYS 7 N 0.22 -0.06 -0.57 1.13 3.64 -1.07 0.44 116.57 120.30 1b1g h LYS 7 Ca 0.31 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.68 1b1g h LYS 7 Cb 0.93 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.73 1b1g h LYS 7 CO -0.06 -0.04 0.29 0.78 -2.27 0.00 0.00 179.45 178.15 1b1g h GLY 8 N -0.06 0.86 0.96 5.01 0.00 -0.55 0.14 103.07 109.43 1b1g h GLY 8 Ca 0.31 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 1b1g h GLY 8 CO -0.73 0.39 -0.31 -2.22 0.00 0.00 0.00 176.54 173.66 1b1g h ILE 9 N 0.77 0.36 -0.31 2.60 1.08 -1.19 0.81 117.51 121.63 1b1g h ILE 9 Ca 0.20 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.73 1b1g h ILE 9 Cb 0.09 0.36 -0.08 0.00 -3.07 0.00 0.00 36.82 34.11 1b1g h ILE 9 CO -0.03 0.00 -0.32 0.15 -0.69 0.00 0.00 178.15 177.26 1b1g h PHE 10 N -0.84 -0.89 0.05 1.37 3.04 -0.80 -2.63 116.94 116.23 1b1g h PHE 10 Ca -0.08 0.05 0.01 0.00 3.98 0.00 0.00 57.97 61.94 1b1g h PHE 10 Cb 0.66 0.44 -0.02 0.00 2.56 0.00 0.00 35.95 39.58 1b1g h PHE 10 CO -0.05 -0.38 -0.13 1.49 -2.02 0.00 0.00 178.31 177.21 1b1g h GLU 11 N -0.30 -0.24 -0.45 1.11 4.81 -0.44 0.16 114.58 119.23 1b1g h GLU 11 Ca 0.14 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.48 1b1g h GLU 11 Cb 0.54 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.88 1b1g h GLU 11 CO -0.47 -0.16 -0.20 0.87 -0.73 0.00 0.00 179.01 178.32 1b1g h LYS 12 N -0.25 -0.10 -0.09 1.92 1.57 -0.73 -0.07 116.57 118.81 1b1g h LYS 12 Ca 0.03 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1b1g h LYS 12 Cb 0.28 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1b1g h LYS 12 CO -0.10 -0.07 -0.08 1.88 -0.57 0.00 0.00 179.45 180.52 1b1g h TYR 13 N -0.11 0.26 -0.69 -1.35 -1.99 -1.07 -3.11 116.97 108.92 1b1g h TYR 13 Ca 0.22 -0.08 0.20 0.00 2.00 0.00 0.00 58.73 61.07 1b1g h TYR 13 Cb 0.44 -0.06 -0.03 0.00 2.00 0.00 0.00 36.73 39.09 1b1g h TYR 13 CO -0.46 0.63 0.57 0.00 -0.00 0.00 0.00 178.16 178.90 1b1g h ALA 14 N 0.59 2.55 0.00 3.88 0.00 -0.21 -1.12 119.26 124.95 1b1g h ALA 14 Ca 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1b1g h ALA 14 Cb 0.58 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1b1g h ALA 14 CO 0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 179.25 178.14 1b1g h ALA 15 N 1.51 0.95 0.24 0.00 0.00 -0.95 -3.39 119.26 117.62 1b1g h ALA 15 Ca 0.33 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1b1g h ALA 15 Cb 1.46 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1b1g h ALA 15 CO -0.00 0.27 -0.29 -0.22 0.00 0.00 0.00 179.25 179.00 1b1g h LYS 16 N 0.00 -0.57 -5.12 0.00 1.63 -1.29 -3.41 116.57 107.82 1b1g h LYS 16 Ca -0.00 0.04 -0.62 0.00 -0.85 0.00 0.00 60.65 59.21 1b1g h LYS 16 Cb 0.87 0.13 -0.15 0.00 -0.60 0.00 0.00 32.23 32.48 1b1g h LYS 16 CO 0.03 -0.38 -0.39 -1.83 -3.45 0.00 0.00 179.45 173.43 1b1g s GLU 17 N -6.04 4.05 0.00 1.90 4.04 -1.26 -4.99 118.70 116.40 1b1g s GLU 17 Ca -0.16 -0.13 0.00 0.00 0.04 0.00 0.00 54.97 54.72 1b1g s GLU 17 Cb 0.07 -3.59 0.00 0.00 0.02 0.00 0.00 34.13 30.62 1b1g s GLU 17 CO 0.64 -0.09 0.00 0.41 -1.84 0.00 0.00 175.26 174.38 1b1g n GLY 18 N 4.50 0.42 3.72 -3.83 0.00 -1.26 -4.62 105.19 104.13 1b1g n GLY 18 Ca -0.12 0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1b1g n GLY 18 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b1g n ASP 19 N 1.37 2.48 -0.76 1.61 5.75 -1.26 -4.95 116.55 120.80 1b1g n ASP 19 Ca 0.00 1.00 0.12 0.00 -0.01 0.00 0.00 54.79 55.90 1b1g n ASP 19 Cb 0.00 -1.54 0.31 0.00 -1.03 0.00 0.00 41.12 38.86 1b1g n ASP 19 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1b1g n PRO 20 N -0.69 2.03 -0.03 0.11 -0.04 -1.26 -4.35 135.00 130.76 1b1g n PRO 20 Ca 0.09 -1.51 -0.02 0.00 -0.04 0.00 0.00 63.50 62.02 1b1g n PRO 20 Cb 0.43 -1.46 -0.05 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.79 3.59 -4.54 3.54 5.15 -1.26 -4.54 115.26 117.99 1b1g n ASN 21 Ca 0.17 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.85 1b1g n ASN 21 Cb 0.47 0.71 -0.11 0.00 -0.53 0.00 0.00 39.78 40.33 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 -2.17 2.09 -0.32 1.20 -0.21 -1.26 -4.25 119.66 114.75 1b1g s GLN 22 Ca -0.03 -1.02 -0.19 0.00 0.02 0.00 0.00 55.36 54.15 1b1g s GLN 22 Cb 0.02 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.75 1b1g s GLN 22 CO 0.24 0.52 0.55 -0.51 -2.12 0.00 0.00 175.29 173.97 1b1g s LEU 23 N -1.99 4.20 0.56 2.90 1.43 0.89 -4.50 118.68 122.17 1b1g s LEU 23 Ca 0.19 0.25 -0.09 0.00 -1.03 0.00 0.00 54.13 53.46 1b1g s LEU 23 Cb -0.11 -2.68 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1b1g s LEU 23 CO 0.11 -0.44 0.92 -0.94 0.23 0.00 0.00 176.35 176.23 1b1g s SER 24 N 1.68 6.25 0.12 2.29 1.04 -1.26 -0.95 113.70 122.87 1b1g s SER 24 Ca 0.22 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 57.65 1b1g s SER 24 Cb -0.15 -2.37 -0.04 0.00 0.10 0.00 0.00 66.02 63.55 1b1g s SER 24 CO 0.12 -0.74 1.73 0.50 0.98 0.00 0.00 173.24 175.83 1b1g h LYS 25 N -0.07 0.07 -0.01 4.02 3.64 -1.99 0.23 116.57 122.46 1b1g h LYS 25 Ca -0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1b1g h LYS 25 Cb 1.20 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1b1g h LYS 25 CO 0.62 0.04 0.01 1.49 -2.27 0.00 0.00 179.45 179.34 1b1g h GLU 26 N 0.07 0.00 0.20 1.90 4.81 -1.99 -2.56 114.58 117.01 1b1g h GLU 26 Ca 0.09 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.02 1b1g h GLU 26 Cb 0.10 0.00 0.03 0.00 0.63 0.00 0.00 28.75 29.51 1b1g h GLU 26 CO -0.14 0.00 -1.34 1.49 -0.73 0.00 0.00 179.01 178.29 1b1g h GLU 27 N 0.00 0.43 -0.91 1.92 4.57 -1.02 -3.35 114.58 116.22 1b1g h GLU 27 Ca 0.00 -0.74 0.18 0.00 -1.18 0.00 0.00 59.36 57.63 1b1g h GLU 27 Cb 0.03 0.27 -0.11 0.00 -0.16 0.00 0.00 28.75 28.78 1b1g h GLU 27 CO -0.00 1.35 0.48 1.25 -1.18 0.00 0.00 179.01 180.91 1b1g h LEU 28 N -0.04 0.55 -0.82 1.64 5.85 -0.59 -2.68 115.31 119.22 1b1g h LEU 28 Ca -0.25 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1b1g h LEU 28 Cb 1.98 0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.94 1b1g h LEU 28 CO 0.21 0.17 -0.48 1.17 -0.34 0.00 0.00 178.44 179.17 1b1g n LYS 29 N -4.89 -0.36 -0.00 1.25 3.00 -1.19 -1.80 118.16 114.17 1b1g n LYS 29 Ca 0.20 1.28 -0.12 0.00 -0.00 0.00 0.00 58.31 59.67 1b1g n LYS 29 Cb 0.54 -1.88 -0.08 0.00 0.00 0.00 0.00 35.03 33.62 1b1g n LYS 29 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.40 178.77 1b1g h LEU 30 N 0.00 0.07 -0.94 3.14 -0.00 -1.69 -3.02 115.31 112.87 1b1g h LEU 30 Ca 0.13 -0.23 0.13 0.00 -0.00 0.00 0.00 57.88 57.91 1b1g h LEU 30 Cb 0.33 -0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 40.83 1b1g h LEU 30 CO -0.77 0.29 -0.41 -0.11 -0.00 0.00 0.00 178.44 177.44 1b1g n LEU 31 N -4.93 -0.69 0.11 0.17 0.00 -0.74 -0.44 117.00 110.48 1b1g n LEU 31 Ca -0.07 1.64 -0.13 0.00 0.00 0.00 0.00 56.01 57.45 1b1g n LEU 31 Cb 0.14 -0.34 -0.06 0.00 0.00 0.00 0.00 43.42 43.17 1b1g n LEU 31 CO 0.34 -1.44 0.66 -0.07 0.00 0.00 0.00 177.39 176.88 1b1g h LEU 32 N 0.00 -0.87 0.22 -1.96 3.38 -1.34 -0.38 115.31 114.36 1b1g h LEU 32 Ca 0.29 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.35 1b1g h LEU 32 Cb 0.52 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1b1g h LEU 32 CO -0.92 -0.39 -0.11 1.56 0.09 0.00 0.00 178.44 178.68 1b1g h GLN 33 N -0.51 -0.29 0.08 1.13 4.20 -0.74 -0.54 115.11 118.43 1b1g h GLN 33 Ca 0.03 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1b1g h GLN 33 Cb 0.55 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1b1g h GLN 33 CO -0.19 -0.19 -0.04 1.15 -0.67 0.00 0.00 178.83 178.90 1b1g h THR 34 N -0.30 1.11 0.00 -0.54 2.02 -0.67 -3.38 112.91 111.15 1b1g h THR 34 Ca -0.03 -0.68 -0.36 0.00 0.77 0.00 0.00 66.41 66.11 1b1g h THR 34 Cb 0.23 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 1b1g h THR 34 CO 0.05 0.17 -2.30 -0.62 0.37 0.00 0.00 175.52 173.19 1b1g n GLU 35 N -4.99 0.68 -0.23 6.66 -0.58 -0.16 -4.73 120.64 117.29 1b1g n GLU 35 Ca -0.08 0.07 0.09 0.00 -0.42 0.00 0.00 57.16 56.81 1b1g n GLU 35 Cb 0.19 -1.56 0.17 0.00 -0.57 0.00 0.00 31.44 29.67 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 -2.89 0.25 0.10 -0.32 3.72 -0.21 -4.84 117.46 113.26 1b1g n PHE 36 Ca -0.33 -1.05 0.04 0.00 -0.05 0.00 0.00 57.45 56.07 1b1g n PHE 36 Cb 1.12 -0.21 0.45 0.00 -0.94 0.00 0.00 39.48 39.90 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 0.52 0.32 0.00 -1.08 0.13 -1.74 0.89 132.00 131.03 1b1g h PRO 37 Ca 0.01 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 65.07 1b1g h PRO 37 Cb 1.12 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 1b1g h PRO 37 CO 0.06 0.30 -0.20 0.66 -0.23 0.00 0.00 178.00 178.59 1b1g h SER 38 N 0.32 0.00 0.67 1.44 4.64 -1.93 -3.33 113.55 115.36 1b1g h SER 38 Ca 0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1b1g h SER 38 Cb 0.12 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 1b1g h SER 38 CO -0.00 0.14 -1.45 0.18 -0.87 0.00 0.00 176.83 174.83 1b1g n LEU 39 N -3.11 0.83 -1.13 5.97 4.32 0.10 -4.42 117.00 119.57 1b1g n LEU 39 Ca 0.03 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.39 1b1g n LEU 39 Cb 0.59 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 42.47 1b1g n LEU 39 CO 0.36 0.15 0.42 0.18 -1.22 0.00 0.00 177.39 177.28 1b1g n LEU 40 N -2.88 2.42 -4.58 2.23 4.77 -0.03 -4.66 117.00 114.27 1b1g n LEU 40 Ca -0.10 -1.17 -0.32 0.00 -0.03 0.00 0.00 56.01 54.39 1b1g n LEU 40 Cb 0.85 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1b1g n LEU 40 CO 0.43 0.42 1.62 -0.54 -1.33 0.00 0.00 177.39 177.99 1b1g s LYS 41 N 0.37 2.90 0.00 3.23 -0.14 -1.26 -4.16 119.74 120.68 1b1g s LYS 41 Ca 0.00 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.27 1b1g s LYS 41 Cb 0.00 -5.31 0.00 0.00 -1.68 0.00 0.00 37.83 30.84 1b1g s LYS 41 CO 0.00 -3.48 0.00 0.41 -0.76 0.00 0.00 175.35 171.52 1b1g n GLY 42 N 5.77 1.67 0.02 -3.33 0.00 -1.26 -4.88 105.19 103.18 1b1g n GLY 42 Ca 0.45 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 2.18 0.01 7.00 -0.02 0.00 -1.26 -5.02 105.19 108.08 1b1g n GLY 43 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1b1g n GLY 43 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1b1g n SER 44 N -0.79 -3.35 -4.98 1.61 7.64 -1.26 -4.63 113.62 107.86 1b1g n SER 44 Ca 0.00 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.68 1b1g n SER 44 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1b1g n SER 44 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1b1g s THR 45 N 0.00 4.66 0.24 0.44 -4.23 -1.26 -4.85 115.64 110.64 1b1g s THR 45 Ca 0.00 -0.98 -0.04 0.00 -1.18 0.00 0.00 61.69 59.48 1b1g s THR 45 Cb 0.00 -3.63 0.21 0.00 1.34 0.00 0.00 72.50 70.42 1b1g s THR 45 CO 0.00 -0.25 1.79 0.25 -0.54 0.00 0.00 174.62 175.88 1b1g h LEU 46 N 1.02 0.59 0.41 4.79 5.85 -1.98 0.28 115.31 126.27 1b1g h LEU 46 Ca -0.49 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 1b1g h LEU 46 Cb 1.24 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1b1g h LEU 46 CO 0.57 0.32 -0.20 0.44 -0.34 0.00 0.00 178.44 179.23 1b1g h ASP 47 N 0.71 -0.47 -0.87 1.25 3.32 -1.98 0.23 116.42 118.60 1b1g h ASP 47 Ca 0.40 -0.04 0.19 0.00 0.02 0.00 0.00 57.03 57.60 1b1g h ASP 47 Cb 0.42 0.12 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1b1g h ASP 47 CO -0.27 -0.03 0.58 -0.33 -1.72 0.00 0.00 179.24 177.47 1b1g h GLU 48 N -1.10 0.39 0.10 3.56 3.07 -1.91 0.18 114.58 118.87 1b1g h GLU 48 Ca -0.06 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1b1g h GLU 48 Cb 0.48 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.30 1b1g h GLU 48 CO 0.09 0.26 -0.05 1.25 -1.40 0.00 0.00 179.01 179.16 1b1g h LEU 49 N 0.40 -0.12 -1.17 1.33 5.85 -0.39 -2.63 115.31 118.58 1b1g h LEU 49 Ca 0.45 0.00 0.36 0.00 0.84 0.00 0.00 57.88 59.53 1b1g h LEU 49 Cb 1.12 0.03 -0.14 0.00 0.37 0.00 0.00 40.66 42.05 1b1g h LEU 49 CO -0.16 0.03 0.66 0.15 -0.34 0.00 0.00 178.44 178.79 1b1g h PHE 50 N -0.38 0.77 -0.15 1.25 3.57 -0.67 0.70 116.94 122.03 1b1g h PHE 50 Ca -0.01 0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.32 1b1g h PHE 50 Cb 0.11 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1b1g h PHE 50 CO 0.05 -0.18 -0.72 0.93 -2.23 0.00 0.00 178.31 176.16 1b1g h GLU 51 N 0.23 0.66 -0.18 1.11 5.08 -0.73 0.36 114.58 121.11 1b1g h GLU 51 Ca 0.75 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 58.62 1b1g h GLU 51 Cb 1.98 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 31.31 1b1g h GLU 51 CO -0.53 1.13 0.07 1.49 -1.00 0.00 0.00 179.01 180.17 1b1g h GLU 52 N 0.46 0.16 0.46 2.33 4.57 -0.74 -3.32 114.58 118.51 1b1g h GLU 52 Ca -0.03 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.12 1b1g h GLU 52 Cb 1.32 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 1b1g h GLU 52 CO 0.14 0.11 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.78 1b1g h LEU 53 N 0.16 -0.53 -8.92 1.64 3.38 -0.47 -3.42 115.31 107.15 1b1g h LEU 53 Ca 0.08 -0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.42 1b1g h LEU 53 Cb 0.03 0.14 -0.14 0.00 0.09 0.00 0.00 40.66 40.78 1b1g h LEU 53 CO -0.07 -0.34 -0.10 -0.62 0.09 0.00 0.00 178.44 177.40 1b1g s ASP 54 N -4.68 6.35 0.32 -0.43 -1.08 0.12 -4.79 116.67 112.49 1b1g s ASP 54 Ca -0.16 0.35 0.07 0.00 -0.52 0.00 0.00 52.55 52.28 1b1g s ASP 54 Cb 0.04 -2.25 0.74 0.00 -1.46 0.00 0.00 42.92 39.98 1b1g s ASP 54 CO 0.62 -0.28 1.83 0.50 0.52 0.00 0.00 175.17 178.36 1b1g h LYS 55 N 8.15 0.76 0.00 4.34 1.63 -1.86 -3.36 116.57 126.23 1b1g h LYS 55 Ca -0.30 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.33 1b1g h LYS 55 Cb 1.15 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1b1g h LYS 55 CO 0.70 0.50 -1.31 0.27 -3.45 0.00 0.00 179.45 176.16 1b1g n ASN 56 N -4.63 0.78 -2.39 4.20 6.94 -1.26 -5.12 115.26 113.77 1b1g n ASN 56 Ca 0.20 0.13 -0.00 0.00 -0.02 0.00 0.00 54.58 54.88 1b1g n ASN 56 Cb 0.49 -0.31 -0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1b1g n GLY 57 N 2.49 -3.99 0.00 4.83 0.00 -1.26 -4.97 105.19 102.29 1b1g n GLY 57 Ca -0.16 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.57 0.00 0.00 1.61 5.68 -1.26 -5.01 116.55 118.13 1b1g n ASP 58 Ca -0.02 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.27 1b1g n ASP 58 Cb 0.03 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b1g n GLY 59 N 0.00 0.25 0.00 6.12 0.00 -1.26 -5.17 105.19 105.13 1b1g n GLY 59 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.58 -2.16 1.61 4.71 -1.26 -4.71 120.64 119.41 1b1g n GLU 60 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.16 56.82 1b1g n GLU 60 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.43 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 -0.40 3.65 0.05 2.62 1.01 -0.13 -4.77 120.40 122.44 1b1g s VAL 61 Ca 0.00 0.87 -0.08 0.00 0.00 0.00 0.00 61.98 62.77 1b1g s VAL 61 Cb 0.00 -3.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.03 1b1g s VAL 61 CO 0.00 -0.37 0.17 -0.94 0.00 0.00 0.00 175.10 173.95 1b1g s SER 62 N -2.43 0.10 0.31 3.32 1.04 -1.26 -0.08 113.70 114.71 1b1g s SER 62 Ca 0.66 -0.50 0.02 0.00 0.48 0.00 0.00 55.95 56.61 1b1g s SER 62 Cb -0.18 0.29 0.78 0.00 0.10 0.00 0.00 66.02 67.01 1b1g s SER 62 CO 0.32 -0.60 1.57 0.33 0.98 0.00 0.00 173.24 175.84 1b1g n PHE 63 N 0.47 0.65 -0.12 5.02 7.35 -1.26 -0.69 117.46 128.89 1b1g n PHE 63 Ca -0.18 1.20 -0.03 0.00 -0.76 0.00 0.00 57.45 57.69 1b1g n PHE 63 Cb 0.60 -1.26 -0.03 0.00 0.35 0.00 0.00 39.48 39.14 1b1g n PHE 63 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1b1g n GLU 64 N -5.49 -0.12 0.02 -4.13 4.07 -1.26 -0.93 120.64 112.79 1b1g n GLU 64 Ca 0.24 0.73 -0.08 0.00 -0.06 0.00 0.00 57.16 57.99 1b1g n GLU 64 Cb 0.78 -1.08 -0.13 0.00 -0.06 0.00 0.00 31.44 30.95 1b1g n GLU 64 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 1b1g h GLU 65 N 0.00 0.00 -0.76 5.31 4.11 -1.34 -3.23 114.58 118.67 1b1g h GLU 65 Ca 0.05 -0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.62 1b1g h GLU 65 Cb 0.12 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1b1g h GLU 65 CO -0.27 0.75 0.51 0.35 0.07 0.00 0.00 179.01 180.42 1b1g h PHE 66 N 0.00 0.47 -0.53 2.06 3.57 0.06 -1.07 116.94 121.51 1b1g h PHE 66 Ca -0.15 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.52 1b1g h PHE 66 Cb 1.89 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 1b1g h PHE 66 CO 0.00 0.18 0.43 1.96 -2.23 0.00 0.00 178.31 178.65 1b1g h GLN 67 N 0.40 0.00 -0.33 1.11 1.08 -1.05 0.38 115.11 116.70 1b1g h GLN 67 Ca 0.37 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 57.42 1b1g h GLN 67 Cb 0.87 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.29 1b1g h GLN 67 CO -0.12 0.00 -0.40 0.28 -0.95 0.00 0.00 178.83 177.64 1b1g h VAL 68 N 0.00 1.28 -0.18 -0.54 2.07 -1.41 -2.74 116.25 114.74 1b1g h VAL 68 Ca 0.25 -1.58 -0.06 0.00 0.82 0.00 0.00 66.70 66.13 1b1g h VAL 68 Cb 1.10 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1b1g h VAL 68 CO -0.00 0.52 -0.14 0.25 0.02 0.00 0.00 177.57 178.21 1b1g h LEU 69 N 0.66 0.43 -0.88 2.57 5.85 -0.45 -3.01 115.31 120.47 1b1g h LEU 69 Ca 0.05 -0.46 0.19 0.00 0.84 0.00 0.00 57.88 58.51 1b1g h LEU 69 Cb 0.96 -0.12 -0.16 0.00 0.37 0.00 0.00 40.66 41.71 1b1g h LEU 69 CO 0.09 0.79 -0.13 0.58 -0.34 0.00 0.00 178.44 179.43 1b1g h VAL 70 N 0.07 0.14 -0.81 1.05 2.07 -0.73 0.57 116.25 118.61 1b1g h VAL 70 Ca 0.03 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.57 1b1g h VAL 70 Cb 0.66 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1b1g h VAL 70 CO 0.04 0.00 0.54 0.50 0.02 0.00 0.00 177.57 178.67 1b1g h LYS 71 N 0.02 1.00 0.00 1.57 3.64 -1.41 -2.28 116.57 119.10 1b1g h LYS 71 Ca 0.45 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1b1g h LYS 71 Cb 0.77 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 1b1g h LYS 71 CO -0.87 0.66 -0.51 1.63 -2.27 0.00 0.00 179.45 178.09 1b1g n LYS 72 N -4.44 0.12 -0.15 1.90 5.02 0.13 -4.29 118.16 116.45 1b1g n LYS 72 Ca 0.10 0.04 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 1b1g n LYS 72 Cb 0.09 -1.58 0.22 0.00 -0.02 0.00 0.00 35.03 33.74 1b1g n LYS 72 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 1b1g h ILE 73 N 0.00 1.21 -0.79 -0.18 -0.00 0.50 0.43 117.51 118.68 1b1g h ILE 73 Ca 0.00 -0.64 -0.46 0.00 -0.00 0.00 0.00 64.86 63.77 1b1g h ILE 73 Cb 0.60 0.47 -0.18 0.00 -0.00 0.00 0.00 36.82 37.71 1b1g h ILE 73 CO 0.00 0.26 0.54 -1.54 -0.00 0.00 0.00 178.15 177.40 1b1g n SER 74 N -4.33 6.77 0.00 2.19 3.41 -1.26 -4.80 113.62 115.61 1b1g n SER 74 Ca 0.05 -3.28 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 1b1g n SER 74 Cb 0.15 -1.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 1b1g n SER 74 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55