#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cpt n SER 2 N 0.00 0.97 -4.41 1.61 7.64 -1.26 -5.00 113.62 113.17 2cpt n SER 2 Ca 0.00 0.12 -0.39 0.00 1.01 0.00 0.00 58.87 59.61 2cpt n SER 2 Cb 0.00 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.82 2cpt n SER 2 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2cpt n SER 3 N -3.37 -1.21 0.00 6.43 3.41 -1.26 -4.87 113.62 112.75 2cpt n SER 3 Ca -0.00 -1.22 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 2cpt n SER 3 Cb 0.01 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.41 2cpt n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cpt n GLY 4 N -1.35 0.31 3.26 5.00 0.00 -1.26 -5.15 105.19 106.00 2cpt n GLY 4 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 2cpt n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cpt s SER 5 N -0.93 -0.14 -0.55 1.61 0.15 -1.26 -5.09 113.70 107.49 2cpt s SER 5 Ca 0.00 -0.16 -0.26 0.00 0.70 0.00 0.00 55.95 56.23 2cpt s SER 5 Cb 0.00 0.36 -0.07 0.00 -1.71 0.00 0.00 66.02 64.60 2cpt s SER 5 CO 0.00 -0.61 2.35 -0.44 1.20 0.00 0.00 173.24 175.74 2cpt s SER 6 N -2.01 4.45 0.00 5.45 0.01 -1.26 -4.85 113.70 115.49 2cpt s SER 6 Ca -0.06 0.85 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2cpt s SER 6 Cb -0.01 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2cpt s SER 6 CO -0.03 -2.97 0.00 0.61 0.41 0.00 0.00 173.24 171.26 2cpt n GLY 7 N 6.09 0.27 3.73 3.44 0.00 -1.26 -4.94 105.19 112.53 2cpt n GLY 7 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.14 2cpt n GLY 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2cpt n MET 8 N 0.00 -5.72 -4.02 1.61 0.00 -1.26 -4.98 117.12 102.75 2cpt n MET 8 Ca 0.00 0.66 -0.32 0.00 0.00 0.00 0.00 57.70 58.04 2cpt n MET 8 Cb 0.00 -5.45 -0.06 0.00 0.00 0.00 0.00 33.22 27.71 2cpt n MET 8 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 2cpt s SER 9 N -3.86 5.87 -0.21 7.83 1.04 -1.26 -5.10 113.70 118.01 2cpt s SER 9 Ca 0.31 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.86 2cpt s SER 9 Cb -0.15 -1.71 0.11 0.00 0.10 0.00 0.00 66.02 64.37 2cpt s SER 9 CO 0.80 0.23 0.31 -0.44 0.98 0.00 0.00 173.24 175.11 2cpt s SER 10 N -2.08 0.62 0.20 7.02 0.01 -1.26 -5.16 113.70 113.06 2cpt s SER 10 Ca 0.27 0.18 0.11 0.00 1.31 0.00 0.00 55.95 57.82 2cpt s SER 10 Cb -0.12 0.81 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 2cpt s SER 10 CO 0.19 -0.29 -0.19 0.28 0.41 0.00 0.00 173.24 173.64 2cpt s THR 11 N 2.45 2.65 0.70 1.44 -1.32 -1.26 -5.12 115.64 115.19 2cpt s THR 11 Ca 0.08 -1.93 -0.16 0.00 -1.21 0.00 0.00 61.69 58.46 2cpt s THR 11 Cb -0.15 -2.30 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 2cpt s THR 11 CO -0.13 -0.14 1.26 -0.44 -2.21 0.00 0.00 174.62 172.96 2cpt s SER 12 N -2.79 4.26 0.36 8.08 0.01 -1.26 -4.84 113.70 117.52 2cpt s SER 12 Ca 0.23 2.51 0.15 0.00 1.31 0.00 0.00 55.95 60.15 2cpt s SER 12 Cb -0.08 -2.61 0.67 0.00 0.21 0.00 0.00 66.02 64.21 2cpt s SER 12 CO 0.12 -2.23 1.76 1.55 0.41 0.00 0.00 173.24 174.86 2cpt h PRO 13 N 0.02 0.00 0.02 12.44 0.13 -1.99 -1.46 132.00 141.16 2cpt h PRO 13 Ca -0.49 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.43 2cpt h PRO 13 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2cpt h PRO 13 CO 0.51 0.42 -0.95 -0.91 -0.23 0.00 0.00 178.00 176.84 2cpt h ASN 14 N 0.00 0.21 0.04 1.44 4.21 -1.98 -3.13 115.58 116.37 2cpt h ASN 14 Ca -0.00 -0.19 -0.09 0.00 1.21 0.00 0.00 56.30 57.22 2cpt h ASN 14 Cb 0.81 -0.07 0.01 0.00 -1.12 0.00 0.00 38.32 37.96 2cpt h ASN 14 CO 0.05 1.05 -0.37 0.25 -1.29 0.00 0.00 177.43 177.13 2cpt h LEU 15 N 0.07 0.26 -0.88 1.61 5.85 -1.86 -3.19 115.31 117.18 2cpt h LEU 15 Ca -0.05 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 57.95 2cpt h LEU 15 Cb 1.62 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 42.48 2cpt h LEU 15 CO 0.14 1.11 0.47 -0.61 -0.34 0.00 0.00 178.44 179.21 2cpt h GLN 16 N -0.56 0.64 -0.51 1.25 5.75 -1.38 -0.67 115.11 119.64 2cpt h GLN 16 Ca -0.06 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 2cpt h GLN 16 Cb 1.20 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.58 2cpt h GLN 16 CO 0.07 0.42 0.30 -0.22 -2.65 0.00 0.00 178.83 176.75 2cpt h LYS 17 N 0.66 0.70 -0.77 1.69 3.64 -1.63 -2.22 116.57 118.64 2cpt h LYS 17 Ca 0.48 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.84 2cpt h LYS 17 Cb 0.68 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 2cpt h LYS 17 CO -0.36 0.52 0.47 0.00 -2.27 0.00 0.00 179.45 177.81 2cpt h ALA 18 N 1.14 1.03 0.78 5.00 0.00 -1.13 -1.48 119.26 124.61 2cpt h ALA 18 Ca 0.18 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2cpt h ALA 18 Cb 0.01 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2cpt h ALA 18 CO -0.03 0.21 -0.38 0.82 0.00 0.00 0.00 179.25 179.87 2cpt h ILE 19 N 0.87 0.19 -0.64 0.00 2.04 -1.04 -1.26 117.51 117.67 2cpt h ILE 19 Ca 0.33 -0.08 0.13 0.00 1.00 0.00 0.00 64.86 66.24 2cpt h ILE 19 Cb 0.13 0.21 -0.10 0.00 -0.74 0.00 0.00 36.82 36.31 2cpt h ILE 19 CO -0.16 0.01 0.05 -0.78 0.00 0.00 0.00 178.15 177.27 2cpt h ASP 20 N -1.12 -0.19 0.72 1.72 3.58 -1.25 -0.13 116.42 119.75 2cpt h ASP 20 Ca -0.11 0.15 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2cpt h ASP 20 Cb 0.82 0.24 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 2cpt h ASP 20 CO 0.18 -0.09 -0.49 -0.07 -2.88 0.00 0.00 179.24 175.89 2cpt h LEU 21 N 0.16 -1.26 -0.94 2.28 3.38 -1.17 0.54 115.31 118.30 2cpt h LEU 21 Ca 0.34 0.08 0.21 0.00 0.09 0.00 0.00 57.88 58.60 2cpt h LEU 21 Cb 0.56 0.38 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 2cpt h LEU 21 CO -0.51 -0.73 0.51 0.00 0.09 0.00 0.00 178.44 177.80 2cpt h ALA 22 N -1.05 1.56 -0.53 1.53 0.00 -0.68 0.10 119.26 120.20 2cpt h ALA 22 Ca -0.09 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 2cpt h ALA 22 Cb 0.94 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2cpt h ALA 22 CO 0.07 -0.22 0.01 1.03 0.00 0.00 0.00 179.25 180.14 2cpt h SER 23 N 0.57 0.91 -0.31 0.00 0.87 -0.65 -3.10 113.55 111.84 2cpt h SER 23 Ca 0.57 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.81 2cpt h SER 23 Cb 1.01 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 2cpt h SER 23 CO -0.45 0.99 0.13 0.50 -0.53 0.00 0.00 176.83 177.47 2cpt h LYS 24 N 0.80 0.46 -0.80 2.24 3.64 0.14 -2.87 116.57 120.18 2cpt h LYS 24 Ca 0.15 -0.08 0.13 0.00 -1.27 0.00 0.00 60.65 59.58 2cpt h LYS 24 Cb 0.52 -0.08 -0.14 0.00 -0.41 0.00 0.00 32.23 32.13 2cpt h LYS 24 CO 0.03 0.46 -0.36 0.00 -2.27 0.00 0.00 179.45 177.30 2cpt h ALA 25 N 0.98 0.06 0.07 5.00 0.00 -0.98 0.05 119.26 124.44 2cpt h ALA 25 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cpt h ALA 25 Cb 0.16 0.90 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2cpt h ALA 25 CO -0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 179.25 178.51 2cpt h ALA 26 N 1.19 -0.14 -0.88 0.00 0.00 -1.55 -2.26 119.26 115.63 2cpt h ALA 26 Ca 0.29 -0.02 0.23 0.00 0.00 0.00 0.00 54.91 55.42 2cpt h ALA 26 Cb 0.57 0.11 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 2cpt h ALA 26 CO -0.84 -0.59 0.25 1.96 0.00 0.00 0.00 179.25 180.03 2cpt h GLN 27 N -0.17 0.22 0.51 0.00 1.08 -0.81 -1.05 115.11 114.88 2cpt h GLN 27 Ca 0.01 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2cpt h GLN 27 Cb 0.17 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2cpt h GLN 27 CO -0.03 0.14 -0.24 0.93 -0.95 0.00 0.00 178.83 178.68 2cpt h GLU 28 N 0.22 -0.66 -0.88 1.46 4.39 -0.85 -2.14 114.58 116.12 2cpt h GLU 28 Ca 0.55 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.41 2cpt h GLU 28 Cb 1.11 0.15 -0.13 0.00 -0.10 0.00 0.00 28.75 29.78 2cpt h GLU 28 CO -0.64 -0.36 -0.48 0.22 -1.16 0.00 0.00 179.01 176.59 2cpt h ASP 29 N -0.90 -1.74 -0.51 1.42 1.82 -0.65 0.37 116.42 116.23 2cpt h ASP 29 Ca -0.07 0.30 0.05 0.00 -0.39 0.00 0.00 57.03 56.92 2cpt h ASP 29 Cb 0.60 0.82 -0.05 0.00 0.68 0.00 0.00 39.33 41.38 2cpt h ASP 29 CO 0.11 -0.28 0.24 0.50 -1.61 0.00 0.00 179.24 178.20 2cpt h LYS 30 N -0.07 0.45 -0.03 0.28 3.64 -1.38 -0.91 116.57 118.54 2cpt h LYS 30 Ca 0.23 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2cpt h LYS 30 Cb 0.52 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2cpt h LYS 30 CO -0.89 0.30 0.02 0.00 -2.27 0.00 0.00 179.45 176.61 2cpt h ALA 31 N 1.29 1.97 0.00 5.00 0.00 0.12 -3.45 119.26 124.20 2cpt h ALA 31 Ca 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2cpt h ALA 31 Cb 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2cpt h ALA 31 CO -0.18 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.50 2cpt n GLY 32 N -1.52 1.40 3.38 0.00 0.00 0.94 -5.09 105.19 104.30 2cpt n GLY 32 Ca -0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2cpt n GLY 32 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2cpt s ASN 33 N -1.81 5.61 -0.26 1.61 0.01 0.00 -4.94 114.94 115.16 2cpt s ASN 33 Ca 0.00 -0.89 -0.11 0.00 -0.71 0.00 0.00 52.86 51.15 2cpt s ASN 33 Cb 0.00 -1.99 -0.14 0.00 0.41 0.00 0.00 41.25 39.52 2cpt s ASN 33 CO 0.00 -0.32 -0.24 -1.22 -1.51 0.00 0.00 177.10 173.81 2cpt n TYR 34 N 4.97 0.17 -0.19 2.20 4.02 -1.26 -2.25 117.16 124.81 2cpt n TYR 34 Ca -0.12 0.06 0.07 0.00 -0.01 0.00 0.00 57.90 57.89 2cpt n TYR 34 Cb 0.47 -1.02 0.35 0.00 -0.02 0.00 0.00 39.34 39.12 2cpt n TYR 34 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 2cpt h GLU 35 N -0.75 0.73 0.10 -0.72 4.81 -1.93 0.13 114.58 116.95 2cpt h GLU 35 Ca -0.63 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.28 2cpt h GLU 35 Cb 1.66 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 30.89 2cpt h GLU 35 CO -0.31 0.48 -1.19 1.49 -0.73 0.00 0.00 179.01 178.75 2cpt h GLU 36 N 0.75 0.49 -0.13 1.92 4.57 -1.99 -3.24 114.58 116.96 2cpt h GLU 36 Ca 0.32 -0.67 -0.09 0.00 -1.18 0.00 0.00 59.36 57.74 2cpt h GLU 36 Cb 0.28 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.08 2cpt h GLU 36 CO -0.11 1.29 -0.32 0.00 -1.18 0.00 0.00 179.01 178.69 2cpt h ALA 37 N 0.45 1.23 0.68 2.92 0.00 -1.39 -2.84 119.26 120.30 2cpt h ALA 37 Ca -0.16 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2cpt h ALA 37 Cb 1.87 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.57 2cpt h ALA 37 CO 0.22 0.52 -0.33 1.25 0.00 0.00 0.00 179.25 180.91 2cpt h LEU 38 N 0.22 -0.77 -1.09 0.00 5.85 -0.82 0.19 115.31 118.89 2cpt h LEU 38 Ca 0.03 0.03 0.21 0.00 0.84 0.00 0.00 57.88 58.99 2cpt h LEU 38 Cb 0.68 0.20 -0.11 0.00 0.37 0.00 0.00 40.66 41.80 2cpt h LEU 38 CO 0.05 -0.53 0.61 0.06 -0.34 0.00 0.00 178.44 178.30 2cpt h GLN 39 N -0.96 0.64 -0.38 1.25 3.07 -1.60 0.60 115.11 117.74 2cpt h GLN 39 Ca -0.09 -0.04 -0.10 0.00 0.09 0.00 0.00 58.65 58.50 2cpt h GLN 39 Cb 0.70 -0.14 -0.01 0.00 0.08 0.00 0.00 27.48 28.10 2cpt h GLN 39 CO 0.15 0.43 -0.17 -0.07 0.09 0.00 0.00 178.83 179.26 2cpt h LEU 40 N 0.66 0.81 -1.43 0.06 3.38 -1.35 -1.35 115.31 116.09 2cpt h LEU 40 Ca 0.58 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2cpt h LEU 40 Cb 1.05 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2cpt h LEU 40 CO -0.37 1.03 0.10 1.88 0.09 0.00 0.00 178.44 181.16 2cpt h TYR 41 N 0.59 0.47 -0.02 1.13 0.05 0.15 -1.38 116.97 117.97 2cpt h TYR 41 Ca 0.09 -0.02 -0.09 0.00 0.05 0.00 0.00 58.73 58.76 2cpt h TYR 41 Cb 0.71 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.31 2cpt h TYR 41 CO 0.06 0.41 -0.33 1.96 -1.05 0.00 0.00 178.16 179.20 2cpt h GLN 42 N 0.47 0.25 0.27 4.88 4.20 -1.01 -3.30 115.11 120.87 2cpt h GLN 42 Ca 0.11 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.58 2cpt h GLN 42 Cb 0.16 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 2cpt h GLN 42 CO -0.01 0.94 -0.25 0.45 -0.67 0.00 0.00 178.83 179.30 2cpt h HIS 43 N -0.35 -0.65 -0.94 2.96 3.86 -1.03 -2.29 115.15 116.71 2cpt h HIS 43 Ca -0.04 0.00 0.19 0.00 -1.16 0.00 0.00 60.37 59.36 2cpt h HIS 43 Cb 1.05 0.25 -0.18 0.00 1.06 0.00 0.00 27.41 29.59 2cpt h HIS 43 CO 0.16 -0.36 -0.25 0.00 0.86 0.00 0.00 177.93 178.34 2cpt n ALA 44 N -2.50 0.20 0.17 2.45 0.00 -0.54 -0.33 120.51 119.96 2cpt n ALA 44 Ca -0.09 1.03 -0.14 0.00 0.00 0.00 0.00 53.44 54.24 2cpt n ALA 44 Cb 0.28 -0.61 -0.08 0.00 0.00 0.00 0.00 19.45 19.04 2cpt n ALA 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2cpt h VAL 45 N 0.00 0.74 -0.86 0.00 2.07 -1.56 -1.51 116.25 115.13 2cpt h VAL 45 Ca 0.44 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.82 2cpt h VAL 45 Cb 0.68 0.90 -0.14 0.00 -1.52 0.00 0.00 31.29 31.20 2cpt h VAL 45 CO -0.97 0.06 -0.38 1.56 0.02 0.00 0.00 177.57 177.86 2cpt h GLN 46 N -0.54 -0.05 0.19 1.57 1.08 -0.11 0.54 115.11 117.79 2cpt h GLN 46 Ca -0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 2cpt h GLN 46 Cb 0.40 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 2cpt h GLN 46 CO 0.07 -0.04 -0.09 1.88 -0.95 0.00 0.00 178.83 179.70 2cpt h TYR 47 N -0.06 -0.23 -0.70 2.96 -1.99 -1.27 -2.47 116.97 113.22 2cpt h TYR 47 Ca 0.30 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.15 2cpt h TYR 47 Cb 0.58 0.08 -0.13 0.00 2.00 0.00 0.00 36.73 39.26 2cpt h TYR 47 CO -0.80 -0.03 -0.30 0.74 -0.00 0.00 0.00 178.16 177.77 2cpt h PHE 48 N -0.40 -0.81 0.59 4.88 0.04 -0.01 -1.79 116.94 119.43 2cpt h PHE 48 Ca -0.03 0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2cpt h PHE 48 Cb 0.31 0.46 -0.01 0.00 2.20 0.00 0.00 35.95 38.91 2cpt h PHE 48 CO -0.02 -0.37 -0.41 -0.07 -0.60 0.00 0.00 178.31 176.84 2cpt h LEU 49 N -0.09 -1.07 -0.86 1.54 3.38 -0.90 -2.44 115.31 114.86 2cpt h LEU 49 Ca 0.29 0.07 0.32 0.00 0.09 0.00 0.00 57.88 58.64 2cpt h LEU 49 Cb 0.56 0.32 -0.16 0.00 0.09 0.00 0.00 40.66 41.48 2cpt h LEU 49 CO -0.75 -0.60 0.31 1.57 0.09 0.00 0.00 178.44 179.05 2cpt n HIS 50 N -4.98 0.85 0.36 1.13 -0.00 -0.80 0.24 115.22 112.01 2cpt n HIS 50 Ca -0.12 1.02 -0.17 0.00 0.46 0.00 0.00 57.72 58.92 2cpt n HIS 50 Cb 0.41 -1.33 -0.09 0.00 -0.12 0.00 0.00 29.99 28.86 2cpt n HIS 50 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 2cpt h VAL 51 N 0.00 0.28 0.00 3.57 2.07 -0.89 -1.32 116.25 119.96 2cpt h VAL 51 Ca 0.66 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 68.02 2cpt h VAL 51 Cb 1.64 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2cpt h VAL 51 CO -0.71 0.02 0.09 0.58 0.02 0.00 0.00 177.57 177.56 2cpt h VAL 52 N -1.01 0.00 0.04 2.57 2.07 0.15 0.98 116.25 121.05 2cpt h VAL 52 Ca -0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2cpt h VAL 52 Cb 0.72 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2cpt h VAL 52 CO 0.15 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.22 2cpt h LYS 53 N 0.00 -0.06 0.00 1.57 3.11 -0.49 -3.35 116.57 117.36 2cpt h LYS 53 Ca 0.00 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.65 2cpt h LYS 53 Cb 0.17 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.39 2cpt h LYS 53 CO 0.00 -0.01 -1.56 0.66 -2.81 0.00 0.00 179.45 175.73 2cpt n TYR 54 N -4.82 0.19 -0.59 1.91 4.02 -0.54 -4.45 117.16 112.88 2cpt n TYR 54 Ca -0.01 0.08 -0.05 0.00 -0.01 0.00 0.00 57.90 57.91 2cpt n TYR 54 Cb 0.04 -0.77 0.01 0.00 -0.02 0.00 0.00 39.34 38.60 2cpt n TYR 54 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2cpt n GLU 55 N -4.40 1.26 -0.87 -0.72 -0.58 0.31 -4.95 120.64 110.69 2cpt n GLU 55 Ca -0.30 -0.51 -0.34 0.00 -0.42 0.00 0.00 57.16 55.59 2cpt n GLU 55 Cb 0.65 -1.20 0.09 0.00 -0.57 0.00 0.00 31.44 30.41 2cpt n GLU 55 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cpt n ALA 56 N 1.10 -3.98 -2.73 0.62 0.00 0.70 -4.42 120.51 111.80 2cpt n ALA 56 Ca 0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 53.44 52.69 2cpt n ALA 56 Cb 0.53 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 2cpt n ALA 56 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2cpt s GLN 57 N -2.93 1.38 0.38 0.00 -2.07 -1.26 -4.96 119.66 110.20 2cpt s GLN 57 Ca 0.49 -1.41 -0.13 0.00 -1.82 0.00 0.00 55.36 52.49 2cpt s GLN 57 Cb -0.17 0.38 -0.11 0.00 -1.09 0.00 0.00 33.01 32.02 2cpt s GLN 57 CO 0.73 -0.52 -0.11 0.41 -1.32 0.00 0.00 175.29 174.47 2cpt n GLY 58 N -0.33 -2.38 0.41 2.60 0.00 -1.26 -4.21 105.19 100.02 2cpt n GLY 58 Ca -0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2cpt n GLY 58 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2cpt h ASP 59 N -0.04 -1.31 -0.84 1.61 3.32 -2.00 -0.29 116.42 116.87 2cpt h ASP 59 Ca -0.30 0.13 0.31 0.00 0.02 0.00 0.00 57.03 57.19 2cpt h ASP 59 Cb 1.05 0.47 -0.15 0.00 0.22 0.00 0.00 39.33 40.92 2cpt h ASP 59 CO 0.30 -0.49 0.30 0.29 -1.72 0.00 0.00 179.24 177.91 2cpt n LYS 60 N -5.00 -0.06 0.04 3.56 5.02 -1.26 0.30 118.16 120.76 2cpt n LYS 60 Ca -0.08 1.20 -0.11 0.00 -2.02 0.00 0.00 58.31 57.30 2cpt n LYS 60 Cb 0.36 -2.06 -0.08 0.00 -0.02 0.00 0.00 35.03 33.22 2cpt n LYS 60 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cpt h ALA 61 N 1.69 -0.17 -0.44 7.82 0.00 -1.59 -3.16 119.26 123.40 2cpt h ALA 61 Ca 0.64 -0.25 0.04 0.00 0.00 0.00 0.00 54.91 55.34 2cpt h ALA 61 Cb 1.59 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.39 2cpt h ALA 61 CO -0.70 -0.28 -0.26 1.63 0.00 0.00 0.00 179.25 179.64 2cpt n LYS 62 N -4.90 -0.19 -0.34 0.00 5.02 0.15 0.75 118.16 118.65 2cpt n LYS 62 Ca -0.08 1.19 0.20 0.00 -2.02 0.00 0.00 58.31 57.60 2cpt n LYS 62 Cb 0.28 -1.76 0.44 0.00 -0.02 0.00 0.00 35.03 33.96 2cpt n LYS 62 CO 0.00 0.00 0.00 -0.56 -0.52 0.00 0.00 177.40 176.32 2cpt h GLN 63 N 0.00 0.48 0.36 1.97 3.07 -1.55 -0.42 115.11 119.03 2cpt h GLN 63 Ca 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 58.65 58.78 2cpt h GLN 63 Cb 0.18 -0.11 -0.02 0.00 0.08 0.00 0.00 27.48 27.61 2cpt h GLN 63 CO -0.41 0.32 -0.31 1.03 0.09 0.00 0.00 178.83 179.55 2cpt h SER 64 N 0.50 -0.82 -0.54 0.06 0.87 0.37 0.09 113.55 114.08 2cpt h SER 64 Ca 0.64 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.27 2cpt h SER 64 Cb 1.37 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 63.57 2cpt h SER 64 CO -0.42 -0.45 0.34 0.40 -0.53 0.00 0.00 176.83 176.16 2cpt h ILE 65 N -0.68 1.15 0.26 2.23 2.04 -0.01 -2.75 117.51 119.75 2cpt h ILE 65 Ca -0.03 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.53 2cpt h ILE 65 Cb 0.60 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2cpt h ILE 65 CO -0.03 0.15 -0.35 0.03 0.00 0.00 0.00 178.15 177.95 2cpt h ARG 66 N 0.72 -0.65 -0.83 2.37 3.08 -0.90 -0.50 114.38 117.68 2cpt h ARG 66 Ca 0.19 0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.49 2cpt h ARG 66 Cb -0.05 0.15 -0.12 0.00 0.08 0.00 0.00 29.97 30.02 2cpt h ARG 66 CO -0.04 -0.43 0.25 0.00 -1.07 0.00 0.00 179.97 178.68 2cpt h ALA 67 N -0.15 1.18 -0.43 0.04 0.00 -0.87 0.70 119.26 119.74 2cpt h ALA 67 Ca -0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 2cpt h ALA 67 Cb 0.64 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2cpt h ALA 67 CO -0.12 -0.37 0.13 0.87 0.00 0.00 0.00 179.25 179.76 2cpt h LYS 68 N 0.29 0.67 -0.64 0.00 6.56 -1.12 -2.16 116.57 120.17 2cpt h LYS 68 Ca 0.50 -0.15 0.12 0.00 -1.06 0.00 0.00 60.65 60.06 2cpt h LYS 68 Cb 0.92 -0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 32.40 2cpt h LYS 68 CO -0.56 0.66 0.16 0.00 -2.06 0.00 0.00 179.45 177.65 2cpt h THR 70 N 0.29 1.26 0.37 0.00 2.02 -1.23 -1.49 112.91 114.13 2cpt h THR 70 Ca 0.34 -1.04 -0.01 0.00 0.77 0.00 0.00 66.41 66.47 2cpt h THR 70 Cb 0.52 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2cpt h THR 70 CO -0.42 0.34 -0.26 -0.08 0.37 0.00 0.00 175.52 175.48 2cpt h GLU 71 N 0.48 -0.58 -0.59 6.66 4.57 -0.61 -1.01 114.58 123.51 2cpt h GLU 71 Ca 0.10 0.04 0.11 0.00 -1.18 0.00 0.00 59.36 58.43 2cpt h GLU 71 Cb 0.50 0.13 -0.08 0.00 -0.16 0.00 0.00 28.75 29.14 2cpt h GLU 71 CO 0.02 -0.38 0.14 1.88 -1.18 0.00 0.00 179.01 179.48 2cpt h TYR 72 N -0.60 0.22 -0.28 0.92 0.05 -1.16 -1.15 116.97 114.97 2cpt h TYR 72 Ca -0.05 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.83 2cpt h TYR 72 Cb 0.49 -0.01 -0.07 0.00 1.01 0.00 0.00 36.73 38.15 2cpt h TYR 72 CO -0.06 -0.02 -0.25 -0.07 -1.05 0.00 0.00 178.16 176.72 2cpt h LEU 73 N 0.27 -0.81 -0.66 3.88 3.38 -1.14 -1.24 115.31 118.99 2cpt h LEU 73 Ca 0.31 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.45 2cpt h LEU 73 Cb 0.44 0.39 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2cpt h LEU 73 CO -0.38 -0.28 0.42 -0.78 0.09 0.00 0.00 178.44 177.50 2cpt h ASP 74 N -0.24 0.69 -0.43 -0.43 1.82 -0.42 -2.55 116.42 114.86 2cpt h ASP 74 Ca 0.15 -0.00 0.08 0.00 -0.39 0.00 0.00 57.03 56.87 2cpt h ASP 74 Cb 0.47 -0.15 -0.07 0.00 0.68 0.00 0.00 39.33 40.26 2cpt h ASP 74 CO -0.42 0.48 -0.03 -0.09 -1.61 0.00 0.00 179.24 177.58 2cpt h ARG 75 N 0.82 0.08 0.01 0.28 9.65 -0.14 -2.26 114.38 122.82 2cpt h ARG 75 Ca 0.26 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 59.15 2cpt h ARG 75 Cb -0.00 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2cpt h ARG 75 CO -0.10 0.05 -0.10 0.00 2.80 0.00 0.00 179.97 182.63 2cpt h ALA 76 N 1.39 -0.11 -0.96 2.80 0.00 -0.90 -2.60 119.26 118.88 2cpt h ALA 76 Ca 0.21 0.00 0.24 0.00 0.00 0.00 0.00 54.91 55.37 2cpt h ALA 76 Cb 0.32 0.17 -0.18 0.00 0.00 0.00 0.00 17.79 18.10 2cpt h ALA 76 CO -0.38 -0.59 -0.06 0.39 0.00 0.00 0.00 179.25 178.61 2cpt n GLU 77 N -5.22 -0.08 0.23 0.00 1.02 -0.86 0.02 120.64 115.75 2cpt n GLU 77 Ca -0.06 1.46 -0.15 0.00 -0.02 0.00 0.00 57.16 58.38 2cpt n GLU 77 Cb 0.15 -2.27 -0.08 0.00 -0.02 0.00 0.00 31.44 29.21 2cpt n GLU 77 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2cpt h LYS 78 N 0.00 -0.51 -1.00 3.49 1.79 -1.34 -2.62 116.57 116.39 2cpt h LYS 78 Ca 0.55 0.03 0.35 0.00 -2.18 0.00 0.00 60.65 59.40 2cpt h LYS 78 Cb 1.05 0.12 -0.16 0.00 -1.58 0.00 0.00 32.23 31.66 2cpt h LYS 78 CO -0.93 -0.33 0.55 -0.07 -1.08 0.00 0.00 179.45 177.58 2cpt h LEU 79 N -0.54 0.44 0.23 2.94 3.38 -0.27 -1.32 115.31 120.17 2cpt h LEU 79 Ca -0.05 0.21 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2cpt h LEU 79 Cb 0.41 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2cpt h LEU 79 CO 0.09 -0.22 -0.17 0.11 0.09 0.00 0.00 178.44 178.34 2cpt h LYS 80 N 0.23 -0.36 -1.47 1.13 1.57 -1.02 0.41 116.57 117.05 2cpt h LYS 80 Ca 0.76 0.02 0.46 0.00 -1.87 0.00 0.00 60.65 60.02 2cpt h LYS 80 Cb 1.82 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 34.10 2cpt h LYS 80 CO -0.66 -0.24 0.99 0.93 -0.57 0.00 0.00 179.45 179.90 2cpt h GLU 81 N -0.38 0.06 0.11 3.15 4.39 -1.21 1.53 114.58 122.22 2cpt h GLU 81 Ca -0.03 -0.00 -0.27 0.00 0.34 0.00 0.00 59.36 59.40 2cpt h GLU 81 Cb 0.31 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2cpt h GLU 81 CO 0.01 0.04 -1.23 -0.92 -1.16 0.00 0.00 179.01 175.75 2cpt h TYR 82 N 0.06 0.42 0.00 4.33 5.03 -0.96 -3.09 116.97 122.76 2cpt h TYR 82 Ca 0.82 -0.31 -0.07 0.00 2.58 0.00 0.00 58.73 61.76 2cpt h TYR 82 Cb 2.84 -0.02 -0.01 0.00 1.55 0.00 0.00 36.73 41.09 2cpt h TYR 82 CO -0.00 1.25 -0.32 -0.07 -1.32 0.00 0.00 178.16 177.70 2cpt h LEU 83 N 0.06 0.00 -1.17 2.82 3.38 0.65 -2.49 115.31 118.56 2cpt h LEU 83 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2cpt h LEU 83 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2cpt h LEU 83 CO 0.19 0.32 0.00 2.29 0.09 0.00 0.00 178.44 181.33 2cpt n LYS 84 N -3.53 1.80 0.03 1.13 2.85 0.29 -3.53 118.16 117.20 2cpt n LYS 84 Ca -0.00 -1.17 0.11 0.00 -1.05 0.00 0.00 58.31 56.20 2cpt n LYS 84 Cb 0.46 -1.47 -0.08 0.00 -0.65 0.00 0.00 35.03 33.29 2cpt n LYS 84 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 177.40 175.64 2cpt n ASN 85 N 0.41 0.42 -0.07 -5.58 2.85 -0.94 -4.28 115.26 108.06 2cpt n ASN 85 Ca 0.18 0.04 -0.11 0.00 -0.11 0.00 0.00 54.58 54.58 2cpt n ASN 85 Cb 0.40 1.25 -0.15 0.00 1.24 0.00 0.00 39.78 42.52 2cpt n ASN 85 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2cpt n LYS 86 N -2.32 0.67 -0.65 1.20 2.85 -1.21 -4.98 118.16 113.72 2cpt n LYS 86 Ca -0.01 0.11 -0.27 0.00 -1.05 0.00 0.00 58.31 57.09 2cpt n LYS 86 Cb 0.53 -1.61 0.15 0.00 -0.65 0.00 0.00 35.03 33.45 2cpt n LYS 86 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2cpt n GLU 87 N -2.93 -1.72 -4.29 -1.58 -0.58 -1.23 -5.01 120.64 103.30 2cpt n GLU 87 Ca -0.29 -0.50 -0.18 0.00 -0.42 0.00 0.00 57.16 55.77 2cpt n GLU 87 Cb 1.10 -1.52 -0.09 0.00 -0.57 0.00 0.00 31.44 30.36 2cpt n GLU 87 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2cpt s LYS 88 N -3.29 1.62 -0.91 3.49 -2.85 -1.26 -4.98 119.74 111.57 2cpt s LYS 88 Ca 0.46 -1.93 -0.24 0.00 -1.00 0.00 0.00 55.97 53.26 2cpt s LYS 88 Cb -0.07 0.16 -0.22 0.00 -2.06 0.00 0.00 37.83 35.63 2cpt s LYS 88 CO 0.53 -0.54 2.34 0.36 0.10 0.00 0.00 175.35 178.13 2cpt n LYS 89 N -0.56 0.00 -4.72 1.78 2.85 -1.26 -4.85 118.16 111.40 2cpt n LYS 89 Ca 0.04 0.00 -0.32 0.00 -1.05 0.00 0.00 58.31 56.98 2cpt n LYS 89 Cb 0.64 -1.26 -0.08 0.00 -0.65 0.00 0.00 35.03 33.68 2cpt n LYS 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2cpt s ALA 90 N 6.28 3.92 -0.89 0.58 0.00 -1.26 -5.02 121.76 125.38 2cpt s ALA 90 Ca 1.23 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 2cpt s ALA 90 Cb -1.06 0.16 -0.18 0.00 0.00 0.00 0.00 23.12 22.04 2cpt s ALA 90 CO 0.46 -0.08 1.92 0.00 0.00 0.00 0.00 175.76 178.06 2cpt n GLN 91 N -1.21 1.06 -3.90 0.00 0.00 -1.26 -4.82 117.38 107.25 2cpt n GLN 91 Ca -0.17 -1.95 -0.10 0.00 0.00 0.00 0.00 57.00 54.78 2cpt n GLN 91 Cb 0.67 -3.38 -0.10 0.00 0.00 0.00 0.00 30.24 27.43 2cpt n GLN 91 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2cpt s LYS 92 N 6.55 0.54 1.08 2.61 0.00 -1.26 -5.17 119.74 124.09 2cpt s LYS 92 Ca 0.68 -0.57 -0.15 0.00 0.00 0.00 0.00 55.97 55.93 2cpt s LYS 92 Cb 0.05 0.22 0.23 0.00 0.00 0.00 0.00 37.83 38.32 2cpt s LYS 92 CO 0.17 -0.13 1.10 -1.25 0.00 0.00 0.00 175.35 175.24 2cpt s PRO 93 N -1.99 -0.20 0.10 1.78 0.04 -1.26 -4.89 135.00 128.58 2cpt s PRO 93 Ca -0.10 0.30 -0.30 0.00 0.04 0.00 0.00 61.00 60.94 2cpt s PRO 93 Cb -0.05 -1.68 -0.16 0.00 0.04 0.00 0.00 34.50 32.65 2cpt s PRO 93 CO -0.01 -3.11 0.68 0.28 0.04 0.00 0.00 177.00 174.88 2cpt n VAL 94 N -4.40 1.01 -4.39 -0.36 0.31 -1.26 -4.96 118.33 104.27 2cpt n VAL 94 Ca 0.08 -0.25 -0.20 0.00 -0.01 0.00 0.00 64.34 63.95 2cpt n VAL 94 Cb 0.58 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.45 2cpt n VAL 94 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2cpt n LYS 95 N 1.09 0.62 -1.98 5.55 4.76 -1.26 -5.06 118.16 121.87 2cpt n LYS 95 Ca 0.17 -2.79 -0.27 0.00 -2.87 0.00 0.00 58.31 52.55 2cpt n LYS 95 Cb 0.16 1.59 -0.05 0.00 -1.84 0.00 0.00 35.03 34.88 2cpt n LYS 95 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2cpt s GLU 96 N -3.25 2.44 0.38 1.97 2.02 -1.26 -4.78 118.70 116.22 2cpt s GLU 96 Ca 0.18 -0.07 0.00 0.00 0.02 0.00 0.00 54.97 55.10 2cpt s GLU 96 Cb 0.01 -4.95 0.00 0.00 0.10 0.00 0.00 34.13 29.29 2cpt s GLU 96 CO 0.13 -3.43 0.00 0.41 0.02 0.00 0.00 175.26 172.39 2cpt n GLY 97 N 6.70 -2.23 2.76 -1.39 0.00 -1.26 -4.72 105.19 105.06 2cpt n GLY 97 Ca 0.39 -1.16 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 2cpt n GLY 97 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cpt s GLN 98 N -2.65 2.01 0.67 1.61 -1.52 -1.26 -5.11 119.66 113.42 2cpt s GLN 98 Ca 0.00 -2.98 -0.11 0.00 -1.95 0.00 0.00 55.36 50.32 2cpt s GLN 98 Cb 0.00 -2.86 0.17 0.00 -0.22 0.00 0.00 33.01 30.10 2cpt s GLN 98 CO 0.00 -1.31 0.59 -0.35 -0.25 0.00 0.00 175.29 173.98 2cpt n PRO 99 N 2.25 -2.19 -3.87 2.91 -0.04 -1.26 -5.10 135.00 127.70 2cpt n PRO 99 Ca 0.22 -0.95 -0.11 0.00 -0.04 0.00 0.00 63.50 62.62 2cpt n PRO 99 Cb 0.38 -0.89 -0.09 0.00 -0.04 0.00 0.00 33.50 32.86 2cpt n PRO 99 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2cpt s SER 100 N -3.11 0.04 0.00 3.54 1.04 -1.26 -4.93 113.70 109.03 2cpt s SER 100 Ca 0.39 -0.30 0.14 0.00 0.48 0.00 0.00 55.95 56.66 2cpt s SER 100 Cb -0.04 0.24 0.65 0.00 0.10 0.00 0.00 66.02 66.97 2cpt s SER 100 CO 0.30 -0.47 1.43 -0.81 0.98 0.00 0.00 173.24 174.68 2cpt n PRO 101 N 1.05 0.07 -3.68 4.02 -0.04 -1.26 -4.89 135.00 130.27 2cpt n PRO 101 Ca -0.21 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.26 2cpt n PRO 101 Cb 0.57 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.57 2cpt n PRO 101 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cpt n ALA 102 N -1.43 -1.91 -3.66 0.55 0.00 -1.26 -4.99 120.51 107.81 2cpt n ALA 102 Ca 0.05 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.30 2cpt n ALA 102 Cb 0.15 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.09 2cpt n ALA 102 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2cpt s ASP 103 N -4.21 -0.65 -0.47 0.00 -4.77 -1.26 -5.13 116.67 100.18 2cpt s ASP 103 Ca 0.10 1.10 -0.19 0.00 -3.30 0.00 0.00 52.55 50.25 2cpt s ASP 103 Cb -0.05 0.98 0.04 0.00 -1.09 0.00 0.00 42.92 42.81 2cpt s ASP 103 CO 0.80 -0.21 0.57 -1.83 0.70 0.00 0.00 175.17 175.20 2cpt s GLU 104 N 1.41 3.14 -0.25 2.11 -1.05 -1.26 -5.01 118.70 117.79 2cpt s GLU 104 Ca -0.09 -0.77 -0.31 0.00 -0.15 0.00 0.00 54.97 53.65 2cpt s GLU 104 Cb -0.07 -4.03 -0.07 0.00 -0.44 0.00 0.00 34.13 29.51 2cpt s GLU 104 CO -0.14 -1.07 2.20 1.17 0.95 0.00 0.00 175.26 178.36 2cpt n LYS 105 N 5.99 1.70 -0.23 -4.83 3.00 -1.26 -4.94 118.16 117.60 2cpt n LYS 105 Ca -0.06 0.48 -0.22 0.00 -0.00 0.00 0.00 58.31 58.51 2cpt n LYS 105 Cb 0.46 -2.96 0.21 0.00 0.00 0.00 0.00 35.03 32.75 2cpt n LYS 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cpt n GLY 106 N 5.94 -3.47 3.21 3.14 0.00 -1.26 -5.07 105.19 107.70 2cpt n GLY 106 Ca 0.33 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 2cpt n GLY 106 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2cpt s ASN 107 N -2.67 0.19 0.29 1.61 2.47 -1.26 -5.13 114.94 110.44 2cpt s ASN 107 Ca 0.49 -0.85 -0.27 0.00 0.42 0.00 0.00 52.86 52.65 2cpt s ASN 107 Cb -0.09 0.33 -0.15 0.00 -1.45 0.00 0.00 41.25 39.90 2cpt s ASN 107 CO 0.41 -0.75 0.77 -0.90 -3.72 0.00 0.00 177.10 172.90 2cpt n ASP 108 N -0.08 0.09 -4.49 -4.21 5.75 -1.26 -4.92 116.55 107.44 2cpt n ASP 108 Ca -0.12 1.11 -0.42 0.00 -0.01 0.00 0.00 54.79 55.35 2cpt n ASP 108 Cb 0.62 -1.15 -0.10 0.00 -1.03 0.00 0.00 41.12 39.46 2cpt n ASP 108 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2cpt s SER 109 N -0.77 6.09 -0.29 -1.12 0.15 -1.26 -5.02 113.70 111.48 2cpt s SER 109 Ca 0.61 -0.72 -0.22 0.00 0.70 0.00 0.00 55.95 56.32 2cpt s SER 109 Cb -0.74 -2.15 0.15 0.00 -1.71 0.00 0.00 66.02 61.56 2cpt s SER 109 CO 0.58 -0.37 1.13 -0.62 1.20 0.00 0.00 173.24 175.16 2cpt s ASP 110 N 1.70 -0.34 -0.30 5.45 2.15 -1.26 -5.16 116.67 118.90 2cpt s ASP 110 Ca 0.05 0.61 -0.16 0.00 0.43 0.00 0.00 52.55 53.48 2cpt s ASP 110 Cb -0.18 0.82 0.18 0.00 -0.30 0.00 0.00 42.92 43.43 2cpt s ASP 110 CO 0.10 -0.10 1.08 -0.83 -0.17 0.00 0.00 175.17 175.25 2cpt s GLY 111 N 0.58 -0.06 -0.25 2.66 0.00 -1.26 -5.17 107.32 103.82 2cpt s GLY 111 Ca -0.00 3.22 -0.26 0.00 0.00 0.00 0.00 44.72 47.67 2cpt s GLY 111 CO -0.11 3.32 1.07 -0.56 0.00 0.00 0.00 173.10 176.82 2cpt s SER 112 N 2.36 -0.38 0.02 1.64 0.01 -1.26 -5.18 113.70 110.90 2cpt s SER 112 Ca -0.01 0.65 -0.22 0.00 1.31 0.00 0.00 55.95 57.68 2cpt s SER 112 Cb -0.05 0.63 0.05 0.00 0.21 0.00 0.00 66.02 66.86 2cpt s SER 112 CO -0.17 -0.19 0.49 -0.83 0.41 0.00 0.00 173.24 172.95 2cpt s GLY 113 N -0.17 -0.37 0.96 3.44 0.00 -1.26 -5.17 107.32 104.74 2cpt s GLY 113 Ca 0.02 0.62 -0.16 0.00 0.00 0.00 0.00 44.72 45.20 2cpt s GLY 113 CO -0.05 0.34 0.85 -1.55 0.00 0.00 0.00 173.10 172.69 2cpt n PRO 114 N 0.69 -2.68 -4.36 2.90 -0.04 -1.26 -5.07 135.00 125.18 2cpt n PRO 114 Ca -0.19 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.61 2cpt n PRO 114 Cb 0.59 -1.28 -0.11 0.00 -0.04 0.00 0.00 33.50 32.66 2cpt n PRO 114 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cpt s SER 115 N -3.80 3.90 1.17 3.54 0.15 -1.26 -5.13 113.70 112.27 2cpt s SER 115 Ca 0.55 -0.52 -0.18 0.00 0.70 0.00 0.00 55.95 56.50 2cpt s SER 115 Cb -0.05 -0.58 0.27 0.00 -1.71 0.00 0.00 66.02 63.95 2cpt s SER 115 CO 0.42 0.19 1.10 -0.44 1.20 0.00 0.00 173.24 175.71 2cpt s SER 116 N -2.02 1.15 0.00 5.45 0.01 -1.26 -5.38 113.70 111.65 2cpt s SER 116 Ca 0.18 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.20 2cpt s SER 116 Cb -0.11 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.01 2cpt s SER 116 CO 0.09 -3.99 0.00 0.61 0.41 0.00 0.00 173.24 170.36