#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 6.43 0.21 4.39 1.04 -1.26 -4.92 113.70 119.59 1b1g s SER 2 Ca 0.00 0.74 -0.10 0.00 0.48 0.00 0.00 55.95 57.07 1b1g s SER 2 Cb 0.00 -2.16 0.28 0.00 0.10 0.00 0.00 66.02 64.24 1b1g s SER 2 CO 0.00 -0.24 1.73 1.55 0.98 0.00 0.00 173.24 177.26 1b1g h PRO 3 N 1.52 0.34 0.00 4.02 0.13 -2.01 -0.37 132.00 135.62 1b1g h PRO 3 Ca -0.48 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 1b1g h PRO 3 Cb 1.19 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1b1g h PRO 3 CO 0.65 0.22 -0.29 1.05 -0.23 0.00 0.00 178.00 179.40 1b1g h GLU 4 N 0.35 0.00 0.05 0.86 4.11 -1.98 0.24 114.58 118.20 1b1g h GLU 4 Ca 0.31 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.73 1b1g h GLU 4 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1b1g h GLU 4 CO -0.34 0.29 -0.02 0.93 0.07 0.00 0.00 179.01 179.94 1b1g h GLU 5 N 0.00 -0.06 -0.10 1.06 4.39 -1.50 -2.65 114.58 115.72 1b1g h GLU 5 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1b1g h GLU 5 Cb 0.68 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1b1g h GLU 5 CO 0.04 0.23 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.05 1b1g h LEU 6 N -0.36 0.12 -0.40 1.33 3.38 -0.66 0.97 115.31 119.69 1b1g h LEU 6 Ca -0.01 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1b1g h LEU 6 Cb 0.32 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1b1g h LEU 6 CO 0.01 0.15 0.22 0.50 0.09 0.00 0.00 178.44 179.41 1b1g h LYS 7 N 0.14 0.43 -0.01 1.13 3.64 -0.49 0.15 116.57 121.56 1b1g h LYS 7 Ca 0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1b1g h LYS 7 Cb 0.10 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1b1g h LYS 7 CO 0.00 0.29 0.01 0.78 -2.27 0.00 0.00 179.45 178.25 1b1g h GLY 8 N 0.45 0.01 0.61 5.01 0.00 -0.49 -0.07 103.07 108.58 1b1g h GLY 8 Ca 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.50 1b1g h GLY 8 CO -0.10 0.01 -0.30 -2.22 0.00 0.00 0.00 176.54 173.93 1b1g h ILE 9 N 0.01 0.37 -0.54 2.60 1.08 -1.07 -0.44 117.51 119.52 1b1g h ILE 9 Ca 0.00 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.55 1b1g h ILE 9 Cb -0.00 0.37 -0.10 0.00 -3.07 0.00 0.00 36.82 34.02 1b1g h ILE 9 CO -0.00 0.00 -0.46 0.15 -0.69 0.00 0.00 178.15 177.15 1b1g h PHE 10 N -0.59 -1.35 -0.25 1.37 3.57 -0.54 -1.36 116.94 117.80 1b1g h PHE 10 Ca 0.00 0.08 0.06 0.00 3.53 0.00 0.00 57.97 61.64 1b1g h PHE 10 Cb 0.56 0.67 -0.06 0.00 2.79 0.00 0.00 35.95 39.90 1b1g h PHE 10 CO -0.21 -0.43 -0.16 1.49 -2.23 0.00 0.00 178.31 176.77 1b1g h GLU 11 N -0.26 -0.13 -0.23 1.11 4.81 -0.66 0.15 114.58 119.37 1b1g h GLU 11 Ca 0.16 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.46 1b1g h GLU 11 Cb 0.57 0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 1b1g h GLU 11 CO -0.66 -0.09 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.00 1b1g h LYS 12 N -0.14 -0.31 -0.13 1.92 3.64 -0.21 -2.66 116.57 118.68 1b1g h LYS 12 Ca 0.14 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1b1g h LYS 12 Cb 0.34 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1b1g h LYS 12 CO -0.33 -0.21 -0.29 1.88 -2.27 0.00 0.00 179.45 178.22 1b1g h TYR 13 N -0.32 0.55 -0.98 1.91 -1.99 -0.96 -3.27 116.97 111.90 1b1g h TYR 13 Ca 0.13 -0.21 0.28 0.00 2.00 0.00 0.00 58.73 60.93 1b1g h TYR 13 Cb 0.53 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 39.12 1b1g h TYR 13 CO -0.44 0.91 0.80 0.00 -0.00 0.00 0.00 178.16 179.43 1b1g h ALA 14 N 0.54 2.87 -0.01 3.88 0.00 -0.40 -0.78 119.26 125.37 1b1g h ALA 14 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b1g h ALA 14 Cb 0.89 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1b1g h ALA 14 CO 0.06 -1.30 -0.40 0.00 0.00 0.00 0.00 179.25 177.61 1b1g n ALA 15 N -2.61 3.38 0.22 0.00 0.00 -1.03 -4.25 120.51 116.23 1b1g n ALA 15 Ca 0.21 -0.42 -0.15 0.00 0.00 0.00 0.00 53.44 53.07 1b1g n ALA 15 Cb 1.13 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 19.43 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 0.86 -0.57 0.00 0.00 1.63 -1.26 -3.46 116.57 113.77 1b1g h LYS 16 Ca 0.00 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1b1g h LYS 16 Cb 0.53 0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1b1g h LYS 16 CO 0.00 -0.38 0.00 -0.85 -3.45 0.00 0.00 179.45 174.77 1b1g n GLU 17 N -5.37 1.75 -1.58 1.90 -0.00 -1.26 -5.03 120.64 111.04 1b1g n GLU 17 Ca -0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.16 56.64 1b1g n GLU 17 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.72 1b1g n GLU 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b1g n GLY 18 N 5.00 -0.40 1.33 -1.84 0.00 -1.26 -4.73 105.19 103.29 1b1g n GLY 18 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 0.79 -7.28 0.08 1.61 -0.08 -1.26 -4.84 116.55 105.56 1b1g n ASP 19 Ca 0.10 1.17 -0.11 0.00 -1.51 0.00 0.00 54.79 54.44 1b1g n ASP 19 Cb 0.37 -3.91 -0.12 0.00 2.34 0.00 0.00 41.12 39.80 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 1.07 0.14 0.10 -0.67 0.13 -1.85 -3.38 132.00 127.54 1b1g h PRO 20 Ca 0.00 -0.23 -0.32 0.00 -0.87 0.00 0.00 66.00 64.58 1b1g h PRO 20 Cb 0.20 0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.40 1b1g h PRO 20 CO 0.00 1.10 -1.69 -0.97 -0.23 0.00 0.00 178.00 176.22 1b1g h ASN 21 N 0.04 0.33 -3.11 1.44 -1.24 -1.90 -3.29 115.58 107.85 1b1g h ASN 21 Ca -0.07 -0.56 -0.64 0.00 0.71 0.00 0.00 56.30 55.74 1b1g h ASN 21 Cb 1.85 -0.11 -0.08 0.00 0.73 0.00 0.00 38.32 40.72 1b1g h ASN 21 CO 0.17 1.48 -0.58 -1.10 -1.29 0.00 0.00 177.43 176.11 1b1g s GLN 22 N -2.60 3.03 -0.30 6.67 -0.21 -1.26 -4.49 119.66 120.51 1b1g s GLN 22 Ca -0.12 -0.60 -0.21 0.00 0.02 0.00 0.00 55.36 54.46 1b1g s GLN 22 Cb 0.07 -2.82 -0.01 0.00 1.00 0.00 0.00 33.01 31.25 1b1g s GLN 22 CO 0.83 0.59 0.64 -0.51 -2.12 0.00 0.00 175.29 174.72 1b1g s LEU 23 N -2.29 4.13 0.92 2.90 1.43 0.12 -4.52 118.68 121.38 1b1g s LEU 23 Ca 0.29 0.48 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 1b1g s LEU 23 Cb -0.12 -2.84 0.14 0.00 0.03 0.00 0.00 46.19 43.39 1b1g s LEU 23 CO 0.22 -0.48 1.09 -0.94 0.23 0.00 0.00 176.35 176.47 1b1g s SER 24 N 1.62 3.25 0.08 2.29 1.04 -1.26 -1.14 113.70 119.58 1b1g s SER 24 Ca 0.26 1.46 -0.28 0.00 0.48 0.00 0.00 55.95 57.87 1b1g s SER 24 Cb -0.15 -2.14 -0.17 0.00 0.10 0.00 0.00 66.02 63.66 1b1g s SER 24 CO 0.11 -2.77 1.67 0.50 0.98 0.00 0.00 173.24 173.73 1b1g h LYS 25 N -1.64 -0.45 -0.08 4.02 3.64 -1.99 -0.75 116.57 119.32 1b1g h LYS 25 Ca -0.50 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.81 1b1g h LYS 25 Cb 1.29 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1b1g h LYS 25 CO 0.55 -0.29 -0.38 0.93 -2.27 0.00 0.00 179.45 177.99 1b1g h GLU 26 N -0.47 0.17 -0.69 1.90 4.39 -1.99 -2.65 114.58 115.23 1b1g h GLU 26 Ca -0.05 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1b1g h GLU 26 Cb 0.36 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1b1g h GLU 26 CO 0.08 0.53 0.44 1.49 -1.16 0.00 0.00 179.01 180.38 1b1g h GLU 27 N 0.15 0.92 -0.84 2.33 4.57 -1.79 -0.92 114.58 118.99 1b1g h GLU 27 Ca 0.02 -0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.30 1b1g h GLU 27 Cb 0.74 -0.20 -0.11 0.00 -0.16 0.00 0.00 28.75 29.02 1b1g h GLU 27 CO 0.06 0.63 0.38 1.25 -1.18 0.00 0.00 179.01 180.14 1b1g h LEU 28 N 0.94 0.37 -0.04 1.64 5.85 -0.77 -1.73 115.31 121.57 1b1g h LEU 28 Ca 0.25 0.12 0.01 0.00 0.84 0.00 0.00 57.88 59.11 1b1g h LEU 28 Cb -0.07 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 1b1g h LEU 28 CO -0.05 0.10 -0.29 0.50 -0.34 0.00 0.00 178.44 178.36 1b1g h LYS 29 N 0.48 -0.32 -0.59 1.25 1.63 -1.18 -0.27 116.57 117.57 1b1g h LYS 29 Ca 0.49 0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.36 1b1g h LYS 29 Cb 0.81 0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 32.46 1b1g h LYS 29 CO -0.44 -0.22 0.32 1.37 -3.45 0.00 0.00 179.45 177.03 1b1g h LEU 30 N -0.34 0.48 -0.51 5.20 -0.00 -1.51 0.04 115.31 118.67 1b1g h LEU 30 Ca 0.01 0.03 0.07 0.00 -0.00 0.00 0.00 57.88 57.99 1b1g h LEU 30 Cb 0.38 -0.07 -0.09 0.00 -0.00 0.00 0.00 40.66 40.87 1b1g h LEU 30 CO -0.21 0.32 -0.51 0.25 -0.00 0.00 0.00 178.44 178.29 1b1g h LEU 31 N 0.61 -1.72 0.16 0.17 6.46 -0.91 0.31 115.31 120.39 1b1g h LEU 31 Ca 0.26 0.25 0.01 0.00 -0.12 0.00 0.00 57.88 58.28 1b1g h LEU 31 Cb 0.14 0.74 -0.02 0.00 -0.73 0.00 0.00 40.66 40.79 1b1g h LEU 31 CO -0.16 -0.36 -0.21 -0.07 -0.62 0.00 0.00 178.44 177.01 1b1g h LEU 32 N -0.30 -0.59 -1.81 2.25 3.38 -0.53 -0.08 115.31 117.63 1b1g h LEU 32 Ca 0.12 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1b1g h LEU 32 Cb 0.57 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1b1g h LEU 32 CO -0.65 -0.31 -0.15 1.56 0.09 0.00 0.00 178.44 178.98 1b1g h GLN 33 N -0.43 0.00 0.00 1.13 4.20 -0.31 0.94 115.11 120.64 1b1g h GLN 33 Ca 0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.72 1b1g h GLN 33 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1b1g h GLN 33 CO -0.09 0.15 -0.14 1.15 -0.67 0.00 0.00 178.83 179.23 1b1g h THR 34 N 0.00 0.00 0.00 -0.54 2.02 -0.18 -3.43 112.91 110.78 1b1g h THR 34 Ca -0.00 -0.63 -0.14 0.00 0.77 0.00 0.00 66.41 66.42 1b1g h THR 34 Cb 0.32 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.71 1b1g h THR 34 CO 0.02 0.00 -1.17 -0.33 0.37 0.00 0.00 175.52 174.41 1b1g h GLU 35 N -0.63 0.00 -1.25 6.66 4.39 -0.97 -3.41 114.58 119.37 1b1g h GLU 35 Ca 0.00 0.00 -0.47 0.00 0.34 0.00 0.00 59.36 59.23 1b1g h GLU 35 Cb 0.14 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.38 1b1g h GLU 35 CO 0.00 0.30 -0.99 1.19 -1.16 0.00 0.00 179.01 178.35 1b1g n PHE 36 N -2.94 2.18 0.00 4.33 3.72 0.32 -4.96 117.46 120.11 1b1g n PHE 36 Ca -0.06 -2.96 0.06 0.00 -0.05 0.00 0.00 57.45 54.44 1b1g n PHE 36 Cb 0.78 -0.25 0.46 0.00 -0.94 0.00 0.00 39.48 39.54 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 2.81 0.46 0.00 -1.08 0.13 -1.80 0.19 132.00 132.71 1b1g h PRO 37 Ca 0.08 -0.03 -0.32 0.00 -0.87 0.00 0.00 66.00 64.86 1b1g h PRO 37 Cb 1.06 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 32.02 1b1g h PRO 37 CO 0.66 0.30 -2.22 -1.13 -0.23 0.00 0.00 178.00 175.38 1b1g n SER 38 N -4.48 1.31 0.26 1.44 3.41 -1.26 -4.41 113.62 109.89 1b1g n SER 38 Ca 0.04 -0.05 0.09 0.00 -0.26 0.00 0.00 58.87 58.70 1b1g n SER 38 Cb 0.14 0.44 0.69 0.00 -0.26 0.00 0.00 64.21 65.23 1b1g n SER 38 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1b1g h LEU 39 N 0.00 0.00 0.00 1.04 3.38 -1.90 -1.65 115.31 116.18 1b1g h LEU 39 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1b1g h LEU 39 Cb 1.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.71 1b1g h LEU 39 CO -0.01 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1b1g n LEU 40 N -4.30 0.00 0.27 1.67 -0.00 0.04 -0.88 117.00 113.80 1b1g n LEU 40 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.10 1b1g n LEU 40 Cb 0.12 0.00 0.74 0.00 -0.00 0.00 0.00 43.42 44.28 1b1g n LEU 40 CO 0.33 0.00 1.01 0.11 -0.00 0.00 0.00 177.39 178.83 1b1g h LYS 41 N 0.00 0.00 -6.36 1.47 1.79 -1.58 -3.37 116.57 108.52 1b1g h LYS 41 Ca 0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 1b1g h LYS 41 Cb 0.00 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.56 1b1g h LYS 41 CO 0.00 0.09 0.74 0.20 -1.08 0.00 0.00 179.45 179.40 1b1g s GLY 42 N -4.17 1.44 0.00 3.86 0.00 -0.06 -4.61 107.32 103.78 1b1g s GLY 42 Ca -0.04 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.16 1b1g s GLY 42 CO 0.59 2.19 0.00 0.61 0.00 0.00 0.00 173.10 176.50 1b1g n GLY 43 N 4.67 -0.04 0.39 0.20 0.00 -1.26 -4.92 105.19 104.23 1b1g n GLY 43 Ca 0.09 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 -1.52 -3.96 1.61 4.64 -1.88 -3.39 113.55 109.05 1b1g h SER 44 Ca 0.00 0.25 -0.42 0.00 -0.47 0.00 0.00 61.79 61.15 1b1g h SER 44 Cb 0.00 0.69 -0.18 0.00 -0.31 0.00 0.00 62.40 62.60 1b1g h SER 44 CO 0.00 -0.34 -0.76 0.42 -0.87 0.00 0.00 176.83 175.29 1b1g s THR 45 N -5.83 1.38 0.25 2.95 -4.23 -1.26 -5.04 115.64 103.86 1b1g s THR 45 Ca -0.14 -1.79 -0.04 0.00 -1.18 0.00 0.00 61.69 58.54 1b1g s THR 45 Cb 0.13 -1.61 0.24 0.00 1.34 0.00 0.00 72.50 72.60 1b1g s THR 45 CO 0.66 -0.44 1.86 0.25 -0.54 0.00 0.00 174.62 176.41 1b1g h LEU 46 N 3.39 0.92 0.03 4.79 5.85 -1.99 0.18 115.31 128.48 1b1g h LEU 46 Ca -0.40 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 1b1g h LEU 46 Cb 1.20 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.05 1b1g h LEU 46 CO 0.52 0.58 -0.01 0.44 -0.34 0.00 0.00 178.44 179.63 1b1g h ASP 47 N 1.05 -0.03 -0.62 1.25 3.32 -1.97 0.32 116.42 119.74 1b1g h ASP 47 Ca 0.40 -0.49 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 1b1g h ASP 47 Cb 0.18 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1b1g h ASP 47 CO -0.18 0.48 0.16 -0.33 -1.72 0.00 0.00 179.24 177.65 1b1g h GLU 48 N -0.56 1.02 0.55 3.56 5.08 -1.94 0.56 114.58 122.84 1b1g h GLU 48 Ca -0.00 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1b1g h GLU 48 Cb 0.52 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1b1g h GLU 48 CO 0.01 0.91 -0.29 1.25 -1.00 0.00 0.00 179.01 179.88 1b1g h LEU 49 N 0.98 -0.72 -1.33 1.33 5.85 -0.56 -0.14 115.31 120.72 1b1g h LEU 49 Ca 0.21 0.03 0.36 0.00 0.84 0.00 0.00 57.88 59.32 1b1g h LEU 49 Cb 0.34 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.45 1b1g h LEU 49 CO 0.00 -0.47 0.74 0.15 -0.34 0.00 0.00 178.44 178.51 1b1g h PHE 50 N -0.77 0.63 -0.02 1.25 3.04 -0.86 0.12 116.94 120.34 1b1g h PHE 50 Ca -0.07 0.03 -0.15 0.00 3.98 0.00 0.00 57.97 61.75 1b1g h PHE 50 Cb 0.60 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 38.93 1b1g h PHE 50 CO 0.04 -0.11 -0.68 0.93 -2.02 0.00 0.00 178.31 176.48 1b1g h GLU 51 N 0.23 0.08 -0.06 1.11 5.08 -0.31 0.35 114.58 121.05 1b1g h GLU 51 Ca 0.72 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 59.01 1b1g h GLU 51 Cb 2.05 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.31 1b1g h GLU 51 CO -0.40 0.72 -0.00 1.49 -1.00 0.00 0.00 179.01 179.82 1b1g h GLU 52 N 0.05 0.11 -0.05 2.33 4.81 0.91 -3.36 114.58 119.38 1b1g h GLU 52 Ca -0.01 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1b1g h GLU 52 Cb 1.20 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1b1g h GLU 52 CO 0.09 0.40 0.03 -0.07 -0.73 0.00 0.00 179.01 178.74 1b1g h LEU 53 N -0.18 0.07 -9.37 1.64 3.38 -0.62 -3.43 115.31 106.79 1b1g h LEU 53 Ca 0.02 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 1b1g h LEU 53 Cb 0.35 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1b1g h LEU 53 CO 0.00 0.09 -0.04 -0.62 0.09 0.00 0.00 178.44 177.96 1b1g s ASP 54 N -5.29 6.83 0.57 -0.43 -1.08 0.12 -4.58 116.67 112.80 1b1g s ASP 54 Ca -0.13 0.99 0.27 0.00 -0.52 0.00 0.00 52.55 53.16 1b1g s ASP 54 Cb 0.06 -2.34 1.55 0.00 -1.46 0.00 0.00 42.92 40.73 1b1g s ASP 54 CO 0.67 -0.02 2.06 0.11 0.52 0.00 0.00 175.17 178.51 1b1g h LYS 55 N 6.57 0.00 0.00 4.34 1.79 -1.87 -3.37 116.57 124.03 1b1g h LYS 55 Ca -0.42 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.05 1b1g h LYS 55 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 1b1g h LYS 55 CO 0.75 0.00 -0.26 0.27 -1.08 0.00 0.00 179.45 179.12 1b1g n ASN 56 N -3.97 0.84 -1.73 0.86 6.94 -1.26 -5.10 115.26 111.83 1b1g n ASN 56 Ca 0.04 0.00 -0.01 0.00 -0.02 0.00 0.00 54.58 54.59 1b1g n ASN 56 Cb 0.40 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 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 2.00 -0.03 0.00 4.83 0.00 -1.26 -4.98 105.19 105.74 1b1g n GLY 57 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1b1g n GLY 57 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b1g n ASP 58 N -1.34 0.00 0.00 1.61 2.03 -1.26 -4.97 116.55 112.61 1b1g n ASP 58 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b1g n ASP 58 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1b1g n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b1g n GLY 59 N 0.00 0.26 0.50 0.27 0.00 -1.26 -5.16 105.19 99.79 1b1g n GLY 59 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.41 -1.56 1.61 4.71 -1.26 -4.56 120.64 119.17 1b1g n GLU 60 Ca 0.00 -0.26 -0.31 0.00 -0.01 0.00 0.00 57.16 56.58 1b1g n GLU 60 Cb 0.00 -0.19 0.05 0.00 -1.01 0.00 0.00 31.44 30.30 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 -1.36 3.97 0.25 2.62 1.01 -0.29 -4.73 120.40 121.87 1b1g s VAL 61 Ca 0.10 0.64 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 1b1g s VAL 61 Cb -0.00 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1b1g s VAL 61 CO 0.07 -0.83 0.32 -0.94 0.00 0.00 0.00 175.10 173.71 1b1g s SER 62 N -3.79 0.27 0.26 3.32 1.04 -1.26 0.16 113.70 113.70 1b1g s SER 62 Ca 0.58 -1.26 -0.01 0.00 0.48 0.00 0.00 55.95 55.74 1b1g s SER 62 Cb -0.14 0.51 0.54 0.00 0.10 0.00 0.00 66.02 67.03 1b1g s SER 62 CO 0.55 -1.03 1.74 0.15 0.98 0.00 0.00 173.24 175.63 1b1g h PHE 63 N 2.38 0.67 -0.91 5.02 3.57 -1.97 0.19 116.94 125.90 1b1g h PHE 63 Ca -0.30 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.38 1b1g h PHE 63 Cb 1.25 -0.17 -0.15 0.00 2.79 0.00 0.00 35.95 39.66 1b1g h PHE 63 CO 0.62 0.11 -0.36 1.49 -2.23 0.00 0.00 178.31 177.94 1b1g h GLU 64 N 0.54 -0.03 0.05 1.11 4.57 -1.96 -1.16 114.58 117.70 1b1g h GLU 64 Ca 0.46 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 58.32 1b1g h GLU 64 Cb 0.71 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.27 1b1g h GLU 64 CO -0.40 -0.02 -1.86 0.39 -1.18 0.00 0.00 179.01 175.94 1b1g n GLU 65 N -5.48 0.69 0.29 1.92 1.02 -0.71 -3.52 120.64 114.84 1b1g n GLU 65 Ca 0.10 0.27 0.18 0.00 -0.02 0.00 0.00 57.16 57.69 1b1g n GLU 65 Cb 0.40 -1.75 0.90 0.00 -0.02 0.00 0.00 31.44 30.97 1b1g n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1b1g h PHE 66 N 0.03 0.00 -0.80 -0.32 3.57 -0.12 0.17 116.94 119.47 1b1g h PHE 66 Ca -0.35 0.00 0.20 0.00 3.53 0.00 0.00 57.97 61.35 1b1g h PHE 66 Cb 2.03 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 40.72 1b1g h PHE 66 CO 0.03 0.00 0.55 1.96 -2.23 0.00 0.00 178.31 178.63 1b1g h GLN 67 N 0.00 0.19 -0.09 1.11 1.08 -1.27 0.55 115.11 116.68 1b1g h GLN 67 Ca 0.04 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1b1g h GLN 67 Cb 0.55 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.93 1b1g h GLN 67 CO -0.00 0.12 -0.11 0.28 -0.95 0.00 0.00 178.83 178.17 1b1g h VAL 68 N 0.19 1.14 -0.07 -0.54 2.07 -0.91 0.15 116.25 118.28 1b1g h VAL 68 Ca 0.40 -0.60 -0.17 0.00 0.82 0.00 0.00 66.70 67.14 1b1g h VAL 68 Cb 1.27 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1b1g h VAL 68 CO -0.08 0.18 -0.64 0.25 0.02 0.00 0.00 177.57 177.31 1b1g h LEU 69 N 0.14 0.68 -1.59 2.57 5.85 -0.14 0.60 115.31 123.41 1b1g h LEU 69 Ca 0.03 -0.69 0.21 0.00 0.84 0.00 0.00 57.88 58.28 1b1g h LEU 69 Cb 0.29 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.05 1b1g h LEU 69 CO 0.02 1.26 0.60 0.58 -0.34 0.00 0.00 178.44 180.56 1b1g h VAL 70 N 0.15 0.65 0.49 1.05 2.07 -0.30 0.29 116.25 120.65 1b1g h VAL 70 Ca -0.06 -0.11 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1b1g h VAL 70 Cb 1.30 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1b1g h VAL 70 CO 0.13 0.06 -0.24 0.50 0.02 0.00 0.00 177.57 178.04 1b1g h LYS 71 N 0.33 -0.64 0.00 1.57 1.63 -0.60 -3.39 116.57 115.48 1b1g h LYS 71 Ca 0.46 0.04 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1b1g h LYS 71 Cb 1.26 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 33.03 1b1g h LYS 71 CO -0.15 -0.42 0.00 1.17 -3.45 0.00 0.00 179.45 176.59 1b1g n LYS 72 N -3.85 0.19 -0.10 1.90 4.81 0.72 -0.24 118.16 121.59 1b1g n LYS 72 Ca -0.08 0.38 0.07 0.00 -0.87 0.00 0.00 58.31 57.81 1b1g n LYS 72 Cb 0.26 -1.84 0.41 0.00 0.02 0.00 0.00 35.03 33.89 1b1g n LYS 72 CO 0.00 0.00 0.00 -0.84 1.17 0.00 0.00 177.40 177.73 1b1g h ILE 73 N 0.00 1.01 0.00 3.15 3.07 -0.87 -3.11 117.51 120.77 1b1g h ILE 73 Ca 0.00 -0.21 0.00 0.00 1.55 0.00 0.00 64.86 66.20 1b1g h ILE 73 Cb 0.40 0.36 0.00 0.00 -0.27 0.00 0.00 36.82 37.31 1b1g h ILE 73 CO 0.00 0.11 -0.22 0.28 -1.05 0.00 0.00 178.15 177.27 1b1g h SER 74 N 0.60 0.00 0.00 2.16 0.02 -0.98 -3.47 113.55 111.88 1b1g h SER 74 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1b1g h SER 74 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1b1g h SER 74 CO -0.07 0.37 0.00 1.67 -1.14 0.00 0.00 176.83 177.65