#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 4.59 0.17 4.39 1.04 -1.26 -4.74 113.70 117.89 1b1g s SER 2 Ca 0.00 1.51 -0.17 0.00 0.48 0.00 0.00 55.95 57.77 1b1g s SER 2 Cb 0.00 -2.27 0.14 0.00 0.10 0.00 0.00 66.02 63.99 1b1g s SER 2 CO 0.00 -1.93 1.25 -2.65 0.98 0.00 0.00 173.24 170.89 1b1g n PRO 3 N -3.43 -0.23 0.23 4.02 -0.02 -1.26 -0.27 135.00 134.03 1b1g n PRO 3 Ca 0.07 1.24 0.18 0.00 -2.02 0.00 0.00 63.50 62.97 1b1g n PRO 3 Cb 0.55 -1.84 0.86 0.00 -0.02 0.00 0.00 33.50 33.05 1b1g n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1b1g h GLU 4 N 0.00 0.00 0.19 -0.52 3.07 -1.99 0.99 114.58 116.31 1b1g h GLU 4 Ca 0.25 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 1b1g h GLU 4 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1b1g h GLU 4 CO -0.79 0.00 -0.09 0.93 -1.40 0.00 0.00 179.01 177.66 1b1g h GLU 5 N 0.00 -0.24 -0.22 2.33 4.39 -0.97 -3.34 114.58 116.53 1b1g h GLU 5 Ca 0.07 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.76 1b1g h GLU 5 Cb 0.48 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1b1g h GLU 5 CO -0.00 0.04 0.02 -0.07 -1.16 0.00 0.00 179.01 177.84 1b1g h LEU 6 N -1.00 0.29 -0.65 1.33 3.38 -0.12 0.24 115.31 118.78 1b1g h LEU 6 Ca -0.03 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1b1g h LEU 6 Cb 0.39 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 1b1g h LEU 6 CO 0.04 0.33 0.37 0.50 0.09 0.00 0.00 178.44 179.77 1b1g h LYS 7 N 0.32 0.67 0.01 1.13 1.63 -1.05 0.99 116.57 120.27 1b1g h LYS 7 Ca 0.08 -0.04 -0.21 0.00 -0.85 0.00 0.00 60.65 59.63 1b1g h LYS 7 Cb 0.19 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 1b1g h LYS 7 CO 0.00 0.44 -0.90 0.78 -3.45 0.00 0.00 179.45 176.32 1b1g h GLY 8 N 0.69 0.25 0.69 5.01 0.00 -0.75 -2.99 103.07 105.97 1b1g h GLY 8 Ca 0.29 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 1b1g h GLY 8 CO -0.17 0.41 -0.33 -2.22 0.00 0.00 0.00 176.54 174.22 1b1g h ILE 9 N 0.12 0.00 -0.46 2.60 1.08 -0.64 -3.09 117.51 117.13 1b1g h ILE 9 Ca -0.05 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.41 1b1g h ILE 9 Cb 1.54 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 35.20 1b1g h ILE 9 CO 0.14 0.00 -0.18 0.15 -0.69 0.00 0.00 178.15 177.57 1b1g h PHE 10 N -1.03 -0.44 -0.07 1.37 3.04 -0.88 -2.20 116.94 116.73 1b1g h PHE 10 Ca -0.10 0.05 0.02 0.00 3.98 0.00 0.00 57.97 61.92 1b1g h PHE 10 Cb 0.71 0.26 -0.02 0.00 2.56 0.00 0.00 35.95 39.47 1b1g h PHE 10 CO 0.04 -0.27 -0.03 1.49 -2.02 0.00 0.00 178.31 177.53 1b1g h GLU 11 N -0.08 -0.02 0.04 1.11 4.22 -1.62 0.26 114.58 118.48 1b1g h GLU 11 Ca 0.22 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.68 1b1g h GLU 11 Cb 0.42 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.64 1b1g h GLU 11 CO -0.51 -0.01 -0.18 -0.22 -2.18 0.00 0.00 179.01 175.90 1b1g h LYS 12 N -0.02 -0.31 -0.15 1.92 3.64 -1.35 -2.93 116.57 117.37 1b1g h LYS 12 Ca 0.04 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.30 1b1g h LYS 12 Cb 0.08 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.96 1b1g h LYS 12 CO -0.08 -0.20 -0.51 1.88 -2.27 0.00 0.00 179.45 178.26 1b1g h TYR 13 N -0.32 0.52 -0.44 1.91 -1.99 -1.08 -2.74 116.97 112.83 1b1g h TYR 13 Ca 0.05 -0.17 0.13 0.00 2.00 0.00 0.00 58.73 60.73 1b1g h TYR 13 Cb 0.37 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1b1g h TYR 13 CO -0.22 0.85 0.34 0.00 -0.00 0.00 0.00 178.16 179.13 1b1g h ALA 14 N 1.12 2.35 -0.36 3.88 0.00 -0.32 0.03 119.26 125.95 1b1g h ALA 14 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1b1g h ALA 14 Cb 1.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1b1g h ALA 14 CO 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 179.25 178.77 1b1g n ALA 15 N -2.57 3.30 0.31 0.00 0.00 -1.03 -3.85 120.51 116.67 1b1g n ALA 15 Ca 0.08 -1.15 -0.15 0.00 0.00 0.00 0.00 53.44 52.21 1b1g n ALA 15 Cb 0.54 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.84 1b1g n ALA 15 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1b1g h LYS 16 N 2.46 -0.77 0.00 0.00 1.63 -1.06 -3.46 116.57 115.37 1b1g h LYS 16 Ca 0.00 0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.85 1b1g h LYS 16 Cb 1.36 0.18 0.00 0.00 -0.60 0.00 0.00 32.23 33.17 1b1g h LYS 16 CO 0.29 -0.46 0.00 -0.85 -3.45 0.00 0.00 179.45 174.98 1b1g n GLU 17 N -5.36 3.48 -0.12 1.90 -0.00 -1.26 -4.97 120.64 114.31 1b1g n GLU 17 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.16 56.97 1b1g n GLU 17 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 31.44 31.80 1b1g n GLU 17 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1b1g h GLY 18 N 0.00 0.55 -4.19 -1.84 0.00 -1.94 -3.42 103.07 92.23 1b1g h GLY 18 Ca 0.00 -0.17 -0.53 0.00 0.00 0.00 0.00 47.33 46.63 1b1g h GLY 18 CO 0.00 0.15 0.22 -0.35 0.00 0.00 0.00 176.54 176.56 1b1g s ASP 19 N -5.50 7.39 0.31 0.19 2.15 -1.26 -4.97 116.67 114.98 1b1g s ASP 19 Ca -0.13 1.66 0.25 0.00 0.43 0.00 0.00 52.55 54.75 1b1g s ASP 19 Cb 0.11 -2.52 0.55 0.00 -0.30 0.00 0.00 42.92 40.77 1b1g s ASP 19 CO 0.72 0.12 1.66 1.55 -0.17 0.00 0.00 175.17 179.05 1b1g h PRO 20 N 4.80 0.00 0.00 4.34 0.13 -1.83 -3.37 132.00 136.07 1b1g h PRO 20 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 1b1g h PRO 20 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1b1g h PRO 20 CO 0.68 0.00 -1.15 -1.71 -0.23 0.00 0.00 178.00 175.59 1b1g n ASN 21 N -2.64 4.18 -4.88 1.44 5.15 -1.25 -3.35 115.26 113.92 1b1g n ASN 21 Ca 0.05 -0.01 -0.26 0.00 -0.60 0.00 0.00 54.58 53.76 1b1g n ASN 21 Cb 0.48 0.30 -0.04 0.00 -0.53 0.00 0.00 39.78 39.99 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 -2.05 3.19 -0.52 1.20 1.11 -1.26 -4.69 119.66 116.64 1b1g s GLN 22 Ca -0.02 -0.73 -0.20 0.00 0.01 0.00 0.00 55.36 54.42 1b1g s GLN 22 Cb 0.01 -2.82 0.05 0.00 -1.01 0.00 0.00 33.01 29.24 1b1g s GLN 22 CO 0.08 0.50 0.71 -0.51 0.01 0.00 0.00 175.29 176.08 1b1g s LEU 23 N -3.19 4.74 0.79 2.90 1.43 0.77 -4.55 118.68 121.57 1b1g s LEU 23 Ca 0.33 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.55 1b1g s LEU 23 Cb -0.11 -2.55 0.07 0.00 0.03 0.00 0.00 46.19 43.64 1b1g s LEU 23 CO 0.26 -0.98 1.12 -0.44 0.23 0.00 0.00 176.35 176.54 1b1g s SER 24 N 2.73 4.11 0.14 2.29 0.01 -1.26 -0.34 113.70 121.38 1b1g s SER 24 Ca 0.19 2.02 -0.20 0.00 1.31 0.00 0.00 55.95 59.27 1b1g s SER 24 Cb -0.17 -2.55 -0.00 0.00 0.21 0.00 0.00 66.02 63.51 1b1g s SER 24 CO 0.14 -2.30 1.69 0.50 0.41 0.00 0.00 173.24 173.67 1b1g h LYS 25 N -1.06 -0.04 0.00 12.44 3.64 -1.98 0.15 116.57 129.73 1b1g h LYS 25 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1b1g h LYS 25 Cb 1.25 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1b1g h LYS 25 CO 0.49 -0.02 0.00 0.39 -2.27 0.00 0.00 179.45 178.03 1b1g n GLU 26 N -5.24 0.34 -0.05 1.90 1.02 -1.26 -2.85 120.64 114.51 1b1g n GLU 26 Ca -0.02 0.09 -0.19 0.00 -0.02 0.00 0.00 57.16 57.02 1b1g n GLU 26 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1b1g n GLU 26 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1b1g n GLU 27 N -1.21 0.71 -0.31 3.49 2.13 0.28 -4.17 120.64 121.56 1b1g n GLU 27 Ca 0.10 0.21 0.08 0.00 0.66 0.00 0.00 57.16 58.21 1b1g n GLU 27 Cb 0.12 -1.64 0.24 0.00 0.27 0.00 0.00 31.44 30.44 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 0.04 0.62 -0.31 4.31 5.85 -0.69 -3.02 115.31 122.10 1b1g h LEU 28 Ca -0.48 0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.36 1b1g h LEU 28 Cb 2.00 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 42.97 1b1g h LEU 28 CO 0.02 0.26 -0.18 1.17 -0.34 0.00 0.00 178.44 179.37 1b1g n LYS 29 N -4.82 -0.14 -0.10 1.25 3.00 -1.20 -0.82 118.16 115.33 1b1g n LYS 29 Ca 0.18 1.12 -0.06 0.00 -0.00 0.00 0.00 58.31 59.55 1b1g n LYS 29 Cb 0.44 -1.67 0.01 0.00 0.00 0.00 0.00 35.03 33.82 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 -0.02 -0.44 3.14 8.10 -1.74 -0.72 115.31 123.63 1b1g h LEU 30 Ca 0.05 0.06 0.06 0.00 0.11 0.00 0.00 57.88 58.16 1b1g h LEU 30 Cb 0.13 0.09 -0.09 0.00 -0.44 0.00 0.00 40.66 40.35 1b1g h LEU 30 CO -0.29 0.03 -0.52 0.25 -4.11 0.00 0.00 178.44 173.79 1b1g h LEU 31 N 0.17 -1.76 -0.09 0.17 6.46 -1.35 0.14 115.31 119.05 1b1g h LEU 31 Ca 0.16 0.24 0.00 0.00 -0.12 0.00 0.00 57.88 58.17 1b1g h LEU 31 Cb 0.19 0.74 -0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1b1g h LEU 31 CO -0.23 -0.39 0.06 -0.07 -0.62 0.00 0.00 178.44 177.20 1b1g h LEU 32 N -0.36 0.11 -0.09 2.25 3.38 -0.55 -0.22 115.31 119.83 1b1g h LEU 32 Ca 0.10 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.10 1b1g h LEU 32 Cb 0.59 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.27 1b1g h LEU 32 CO -0.61 0.08 -0.14 1.56 0.09 0.00 0.00 178.44 179.42 1b1g h GLN 33 N 0.13 -0.18 0.20 1.13 4.20 -0.66 0.12 115.11 120.05 1b1g h GLN 33 Ca 0.03 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.75 1b1g h GLN 33 Cb -0.01 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.81 1b1g h GLN 33 CO -0.01 -0.12 -0.10 1.15 -0.67 0.00 0.00 178.83 179.08 1b1g h THR 34 N -0.19 0.89 0.00 -0.54 2.02 -0.86 -3.39 112.91 110.84 1b1g h THR 34 Ca 0.08 -0.56 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 1b1g h THR 34 Cb 0.30 1.22 -0.04 0.00 -1.74 0.00 0.00 68.15 67.89 1b1g h THR 34 CO -0.21 0.12 -2.23 -0.62 0.37 0.00 0.00 175.52 172.96 1b1g n GLU 35 N -5.08 0.69 -0.41 6.66 -0.58 -0.10 -4.70 120.64 117.12 1b1g n GLU 35 Ca -0.09 -0.08 0.07 0.00 -0.42 0.00 0.00 57.16 56.64 1b1g n GLU 35 Cb 0.22 -1.52 0.12 0.00 -0.57 0.00 0.00 31.44 29.70 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 -2.56 0.00 -0.12 -0.32 3.01 0.41 -4.91 117.46 112.97 1b1g n PHE 36 Ca -0.22 -0.91 -0.09 0.00 1.01 0.00 0.00 57.45 57.24 1b1g n PHE 36 Cb 0.93 -0.16 -0.01 0.00 -0.01 0.00 0.00 39.48 40.23 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 0.34 0.54 0.00 -1.08 0.13 -1.74 -2.13 132.00 128.06 1b1g h PRO 37 Ca -0.02 -0.08 -0.17 0.00 -0.87 0.00 0.00 66.00 64.86 1b1g h PRO 37 Cb 1.15 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 1b1g h PRO 37 CO 0.01 0.49 -0.81 0.66 -0.23 0.00 0.00 178.00 178.12 1b1g h SER 38 N 0.46 0.02 0.26 1.44 4.64 -1.92 -3.27 113.55 115.17 1b1g h SER 38 Ca 0.13 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.37 1b1g h SER 38 Cb 0.13 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.21 1b1g h SER 38 CO -0.01 0.81 -0.30 -0.07 -0.87 0.00 0.00 176.83 176.39 1b1g h LEU 39 N 0.01 0.06 -5.00 5.97 3.38 -1.78 -3.28 115.31 114.67 1b1g h LEU 39 Ca -0.01 -0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.54 1b1g h LEU 39 Cb 1.42 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1b1g h LEU 39 CO 0.11 0.36 2.26 0.18 0.09 0.00 0.00 178.44 181.44 1b1g n LEU 40 N -4.17 5.78 -3.69 1.67 4.77 -0.85 -4.78 117.00 115.73 1b1g n LEU 40 Ca -0.02 -3.21 -0.42 0.00 -0.03 0.00 0.00 56.01 52.32 1b1g n LEU 40 Cb 0.36 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 1b1g n LEU 40 CO 0.38 1.18 2.07 0.29 -1.33 0.00 0.00 177.39 179.98 1b1g n LYS 41 N 3.61 1.51 0.00 3.23 4.76 -1.24 -4.79 118.16 125.24 1b1g n LYS 41 Ca 0.51 -1.89 0.00 0.00 -2.87 0.00 0.00 58.31 54.06 1b1g n LYS 41 Cb 0.30 -2.97 0.00 0.00 -1.84 0.00 0.00 35.03 30.52 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 4.62 4.63 0.00 0.72 0.00 -1.26 -5.08 105.19 108.83 1b1g n GLY 42 Ca 0.49 -1.13 -0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 -0.01 2.86 -0.02 0.00 -1.26 -5.08 105.19 101.67 1b1g n GLY 43 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.35 0.41 -4.93 1.61 7.64 -1.26 -4.99 113.62 109.75 1b1g n SER 44 Ca -0.01 0.93 -0.26 0.00 1.01 0.00 0.00 58.87 60.54 1b1g n SER 44 Cb 0.51 -0.72 0.02 0.00 -1.01 0.00 0.00 64.21 63.02 1b1g n SER 44 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1b1g s THR 45 N 1.03 4.01 0.21 0.44 2.01 -1.26 -4.87 115.64 117.21 1b1g s THR 45 Ca 0.77 -0.10 -0.20 0.00 0.31 0.00 0.00 61.69 62.47 1b1g s THR 45 Cb -1.09 -3.55 0.18 0.00 0.01 0.00 0.00 72.50 68.06 1b1g s THR 45 CO 0.54 -0.50 1.52 -0.11 -0.69 0.00 0.00 174.62 175.37 1b1g n LEU 46 N -2.37 -0.71 -0.05 4.42 7.94 -1.26 -0.70 117.00 124.27 1b1g n LEU 46 Ca 0.03 1.72 -0.14 0.00 -1.11 0.00 0.00 56.01 56.51 1b1g n LEU 46 Cb 0.57 -0.36 -0.08 0.00 0.53 0.00 0.00 43.42 44.08 1b1g n LEU 46 CO 0.51 -1.52 0.55 0.44 -1.11 0.00 0.00 177.39 176.26 1b1g h ASP 47 N 0.00 0.40 -0.80 1.96 5.19 -1.95 0.14 116.42 121.35 1b1g h ASP 47 Ca 0.31 -0.54 0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1b1g h ASP 47 Cb 0.55 -0.11 -0.05 0.00 0.18 0.00 0.00 39.33 39.90 1b1g h ASP 47 CO -0.96 0.86 0.51 -0.33 -3.12 0.00 0.00 179.24 176.19 1b1g h GLU 48 N -0.05 0.95 0.59 3.56 5.08 -1.82 0.14 114.58 123.02 1b1g h GLU 48 Ca 0.01 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1b1g h GLU 48 Cb 0.78 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.82 1b1g h GLU 48 CO 0.05 0.63 -0.28 1.25 -1.00 0.00 0.00 179.01 179.65 1b1g h LEU 49 N 0.98 -0.67 -0.95 1.33 5.85 -0.69 -2.19 115.31 118.97 1b1g h LEU 49 Ca 0.33 -0.00 0.26 0.00 0.84 0.00 0.00 57.88 59.31 1b1g h LEU 49 Cb 0.04 0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.07 1b1g h LEU 49 CO -0.12 -0.27 0.02 0.33 -0.34 0.00 0.00 178.44 178.05 1b1g n PHE 50 N -5.31 0.61 1.79 1.25 -0.00 0.45 -0.53 117.46 115.74 1b1g n PHE 50 Ca -0.10 1.15 0.15 0.00 -0.00 0.00 0.00 57.45 58.65 1b1g n PHE 50 Cb 0.32 -1.22 0.87 0.00 -0.00 0.00 0.00 39.48 39.46 1b1g n PHE 50 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1b1g n GLU 51 N -5.42 0.84 -0.05 -4.13 1.02 0.47 -0.13 120.64 113.25 1b1g n GLU 51 Ca 0.23 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.24 1b1g n GLU 51 Cb 0.74 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 1b1g n GLU 51 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1b1g h GLU 52 N 0.00 -0.02 0.37 3.49 4.57 -0.17 -3.42 114.58 119.40 1b1g h GLU 52 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1b1g h GLU 52 Cb 0.06 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 1b1g h GLU 52 CO 0.00 0.77 -0.34 -0.07 -1.18 0.00 0.00 179.01 178.19 1b1g h LEU 53 N -0.91 -0.92 -9.08 1.64 3.38 0.33 -3.40 115.31 106.35 1b1g h LEU 53 Ca -0.00 0.08 -0.57 0.00 0.09 0.00 0.00 57.88 57.47 1b1g h LEU 53 Cb 0.80 0.31 -0.05 0.00 0.09 0.00 0.00 40.66 41.80 1b1g h LEU 53 CO 0.00 -0.49 0.87 -0.62 0.09 0.00 0.00 178.44 178.29 1b1g s ASP 54 N -4.59 6.96 0.11 -0.43 -1.08 0.82 -4.73 116.67 113.73 1b1g s ASP 54 Ca -0.17 1.45 -0.28 0.00 -0.52 0.00 0.00 52.55 53.03 1b1g s ASP 54 Cb 0.06 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.89 1b1g s ASP 54 CO 0.63 -0.79 1.62 0.50 0.52 0.00 0.00 175.17 177.65 1b1g h LYS 55 N 8.09 -0.52 0.00 4.34 1.63 -1.89 -3.42 116.57 124.80 1b1g h LYS 55 Ca -0.23 0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.49 1b1g h LYS 55 Cb 1.08 0.12 -0.10 0.00 -0.60 0.00 0.00 32.23 32.73 1b1g h LYS 55 CO 0.99 -0.35 0.08 -1.71 -3.45 0.00 0.00 179.45 175.01 1b1g n ASN 56 N -5.41 -1.29 -2.68 4.20 4.05 -1.26 -5.04 115.26 107.83 1b1g n ASN 56 Ca -0.07 -1.87 -0.05 0.00 0.45 0.00 0.00 54.58 53.05 1b1g n ASN 56 Cb 0.32 1.08 0.07 0.00 1.23 0.00 0.00 39.78 42.49 1b1g n ASN 56 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1b1g n GLY 57 N -0.24 -0.44 0.00 8.20 0.00 -1.26 -5.04 105.19 106.41 1b1g n GLY 57 Ca -0.18 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.02 0.00 -0.00 1.61 5.75 -1.26 -3.81 116.55 118.81 1b1g n ASP 58 Ca -0.10 0.00 -0.01 0.00 -0.01 0.00 0.00 54.79 54.67 1b1g n ASP 58 Cb 0.73 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.82 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 -0.15 3.09 6.12 0.00 -1.26 -5.11 105.19 107.88 1b1g n GLY 59 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1b1g n GLY 59 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1b1g s GLU 60 N -1.29 0.60 0.66 1.61 8.01 -1.25 -4.22 118.70 122.82 1b1g s GLU 60 Ca -0.02 -0.91 -0.08 0.00 0.01 0.00 0.00 54.97 53.96 1b1g s GLU 60 Cb 0.00 -0.23 0.03 0.00 -4.31 0.00 0.00 34.13 29.62 1b1g s GLU 60 CO 0.04 0.02 1.00 0.08 0.01 0.00 0.00 175.26 176.41 1b1g s VAL 61 N -2.04 3.20 0.25 2.63 1.01 0.54 -4.86 120.40 121.14 1b1g s VAL 61 Ca -0.04 0.09 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1b1g s VAL 61 Cb -0.05 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1b1g s VAL 61 CO -0.01 -0.38 0.34 -0.94 0.00 0.00 0.00 175.10 174.11 1b1g s SER 62 N -4.38 0.30 0.29 3.32 1.04 -1.26 -0.16 113.70 112.84 1b1g s SER 62 Ca 0.57 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1b1g s SER 62 Cb -0.11 0.53 0.67 0.00 0.10 0.00 0.00 66.02 67.21 1b1g s SER 62 CO 0.47 -1.06 1.62 0.15 0.98 0.00 0.00 173.24 175.40 1b1g h PHE 63 N 2.35 0.12 -0.82 5.02 3.57 -1.96 1.00 116.94 126.21 1b1g h PHE 63 Ca -0.30 0.06 0.07 0.00 3.53 0.00 0.00 57.97 61.33 1b1g h PHE 63 Cb 1.25 0.09 -0.10 0.00 2.79 0.00 0.00 35.95 39.98 1b1g h PHE 63 CO 0.67 -0.30 -0.48 -1.91 -2.23 0.00 0.00 178.31 174.06 1b1g n GLU 64 N -5.35 -0.36 0.09 1.11 4.07 -1.26 -1.56 120.64 117.38 1b1g n GLU 64 Ca 0.20 1.25 -0.13 0.00 -0.06 0.00 0.00 57.16 58.43 1b1g n GLU 64 Cb 0.67 -1.84 -0.13 0.00 -0.06 0.00 0.00 31.44 30.08 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 0.17 -0.27 5.31 5.08 -1.18 -3.04 114.58 120.65 1b1g h GLU 65 Ca 0.13 -0.29 0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1b1g h GLU 65 Cb 0.34 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1b1g h GLU 65 CO -0.77 1.14 0.47 0.35 -1.00 0.00 0.00 179.01 179.19 1b1g h PHE 66 N 0.05 0.00 -0.04 4.33 3.57 -0.15 -0.79 116.94 123.92 1b1g h PHE 66 Ca -0.09 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.42 1b1g h PHE 66 Cb 1.90 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.64 1b1g h PHE 66 CO 0.04 0.00 0.08 1.96 -2.23 0.00 0.00 178.31 178.16 1b1g h GLN 67 N 0.00 0.00 -0.96 1.11 1.08 -1.22 0.43 115.11 115.55 1b1g h GLN 67 Ca 0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 1b1g h GLN 67 Cb 1.06 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.45 1b1g h GLN 67 CO -0.00 0.00 0.61 0.28 -0.95 0.00 0.00 178.83 178.77 1b1g h VAL 68 N 0.00 1.26 -0.00 -0.54 2.07 -1.38 0.91 116.25 118.56 1b1g h VAL 68 Ca 0.02 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 1b1g h VAL 68 Cb 0.18 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1b1g h VAL 68 CO -0.00 0.26 0.00 0.25 0.02 0.00 0.00 177.57 178.10 1b1g h LEU 69 N 1.32 0.00 -1.90 2.57 7.12 -0.36 0.53 115.31 124.59 1b1g h LEU 69 Ca 0.35 -0.09 0.10 0.00 0.13 0.00 0.00 57.88 58.36 1b1g h LEU 69 Cb -0.10 -0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.01 1b1g h LEU 69 CO -0.07 0.10 0.29 0.58 -0.13 0.00 0.00 178.44 179.20 1b1g h VAL 70 N -0.09 0.85 0.35 1.05 2.07 -0.76 0.47 116.25 120.19 1b1g h VAL 70 Ca 0.00 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1b1g h VAL 70 Cb 0.09 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 1b1g h VAL 70 CO -0.00 0.02 -0.17 0.50 0.02 0.00 0.00 177.57 177.94 1b1g h LYS 71 N 0.12 -0.46 0.00 1.57 3.64 -0.58 -3.38 116.57 117.48 1b1g h LYS 71 Ca 0.19 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1b1g h LYS 71 Cb 0.61 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.54 1b1g h LYS 71 CO -0.02 -0.18 0.00 0.87 -2.27 0.00 0.00 179.45 177.85 1b1g h LYS 72 N -1.03 0.00 0.00 1.90 1.57 0.11 0.89 116.57 120.01 1b1g h LYS 72 Ca -0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1b1g h LYS 72 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1b1g h LYS 72 CO 0.08 0.00 0.00 -0.84 -0.57 0.00 0.00 179.45 178.12 1b1g h ILE 73 N 0.00 0.00 -0.71 1.86 3.07 -1.22 0.35 117.51 120.86 1b1g h ILE 73 Ca 0.00 -0.14 -0.24 0.00 1.55 0.00 0.00 64.86 66.03 1b1g h ILE 73 Cb 0.24 0.85 -0.14 0.00 -0.27 0.00 0.00 36.82 37.49 1b1g h ILE 73 CO 0.00 0.00 0.31 -1.20 -1.05 0.00 0.00 178.15 176.21 1b1g n SER 74 N -2.50 4.42 0.00 2.16 7.64 0.31 -5.05 113.62 120.59 1b1g n SER 74 Ca -0.00 -3.14 0.00 0.00 1.01 0.00 0.00 58.87 56.73 1b1g n SER 74 Cb 0.13 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 1b1g n SER 74 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70